N-[2-[2-(aminomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide

C26H28N6O5S — CID 54138361

IUPACN-[2-[2-(aminomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(CN)c2)nc1OC
InChIInChI=1S/C26H28N6O5S/c1-16(2)18-9-10-22(29-15-18)38(33,34)32-25-23(37-21-8-6-5-7-20(21)35-3)26(36-4)31-24(30-25)17-11-12-28-19(13-17)14-27/h5-13,15-16H,14,27H2,1-4H3,(H,30,31,32)
InChIKeyNZHZENNNHAWUIK-UHFFFAOYSA-N
MW536.61 g/mol
LogP4.13
Rot. Bonds10

About N-[2-[2-(aminomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide

N-[2-[2-(aminomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide (PubChem CID 54138361) has the molecular formula C26H28N6O5S and a molecular weight of 536.61 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
PubChem CID54138361
Molecular FormulaC26H28N6O5S
Molecular Weight536.61 g/mol
Exact Mass536.18
IUPAC NameN-[2-[2-(aminomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(CN)c2)nc1OC
InChIInChI=1S/C26H28N6O5S/c1-16(2)18-9-10-22(29-15-18)38(33,34)32-25-23(37-21-8-6-5-7-20(21)35-3)26(36-4)31-24(30-25)17-11-12-28-19(13-17)14-27/h5-13,15-16H,14,27H2,1-4H3,(H,30,31,32)
InChIKeyNZHZENNNHAWUIK-UHFFFAOYSA-N
XLogP4.13
TPSA151.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.61
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[6-(2-aminoethoxy)-5-(2-methoxyphenoxy)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
CID 18184218
disodium;hydride;N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
CID 173034252
N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
CID 54011551
N-[5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-6-(4-pyrimidin-2-yloxybut-2-ynoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
CID 10282919
6-(dihydroxyamino)oxyhexyl 2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl carbonate
CID 70639387
N'-hydroxy-4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboximidamide
CID 135550517
4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylic acid
CID 21200276
2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl 2-(2-nitrooxyethoxy)ethyl carbonate
CID 25094203
4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide
CID 54316721
2-hydroxyethyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate
CID 54441379
5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide
CID 11569523
N-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-prop-1-en-2-ylpyridine-2-sulfonamide
CID 54563106

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?
The IUPAC name of N-[2-[2-(aminomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide (CID 54138361) is N-[2-[2-(aminomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide.
What is the SMILES notation for N-[2-[2-(aminomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?
The canonical SMILES for N-[2-[2-(aminomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide is COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(CN)c2)nc1OC.
What is the InChIKey of N-[2-[2-(aminomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?
The InChIKey is NZHZENNNHAWUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O5S/c1-16(2)18-9-10-22(29-15-18)38(33,34)32-25-23(37-21-8-6-5-7-20(21)35-3)26(36-4)31-24(30-25)17-11-12-28-19(13-17)14-27/h5-13,15-16H,14,27H2,1-4H3,(H,30,31,32).
What are the key properties of N-[2-[2-(aminomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?
N-[2-[2-(aminomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide has a molecular weight of 536.61 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide is sourced from PubChem (CID 54138361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).