methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate

C18H17N5O2 — CID 168929213

IUPACmethyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2ccnc(-c3cc(N)ccc3C)n2)ccn1
InChIInChI=1S/C18H17N5O2/c1-11-3-4-13(19)10-14(11)17-21-8-6-15(22-17)12-5-7-20-16(9-12)23-18(24)25-2/h3-10H,19H2,1-2H3,(H,20,23,24)
InChIKeyYKFDHKVOOTWYCX-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.27
Rot. Bonds3

About methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate

methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate (PubChem CID 168929213) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate
PubChem CID168929213
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Namemethyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2ccnc(-c3cc(N)ccc3C)n2)ccn1
InChIInChI=1S/C18H17N5O2/c1-11-3-4-13(19)10-14(11)17-21-8-6-15(22-17)12-5-7-20-16(9-12)23-18(24)25-2/h3-10H,19H2,1-2H3,(H,20,23,24)
InChIKeyYKFDHKVOOTWYCX-UHFFFAOYSA-N
XLogP3.27
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate
CID 166473361
2,2,2-trichloroethyl N-[3-[2-[2-(methoxycarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]carbamate
CID 168928456
N-[4-[6-(5-amino-2-methylphenyl)-2-methyl-3-oxopyridazin-4-yl]-2-pyridinyl]acetamide
CID 168929025
methyl N-[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-methylpyrimidin-4-yl]-2-pyridinyl]carbamate
CID 168929736
N-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 168930442
N-[3-[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-2-yl]-4-methylphenyl]-2-(1-propylcyclopropyl)pyridine-4-carboxamide
CID 168930170
(Z,2E)-4-amino-2-(aminomethylidene)-4-cyclopropyl-N-[4-methyl-3-[4-[2-(methylamino)-4-pyridinyl]pyrimidin-2-yl]phenyl]but-3-enamide
CID 168929307
2,2,2-trichloroethyl N-[6-methyl-5-[4-[2-(methylamino)-4-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]carbamate
CID 168928631
methyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine
CID 175018464
4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)benzoic acid
CID 99942334
methyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate
CID 170422415
N-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide
CID 169024748

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate (CID 168929213) is methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate is COC(=O)Nc1cc(-c2ccnc(-c3cc(N)ccc3C)n2)ccn1.
What is the InChIKey of methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate?
The InChIKey is YKFDHKVOOTWYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-3-4-13(19)10-14(11)17-21-8-6-15(22-17)12-5-7-20-16(9-12)23-18(24)25-2/h3-10H,19H2,1-2H3,(H,20,23,24).
What are the key properties of methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate?
methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate has a molecular weight of 335.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 168929213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).