N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine

C19H31N5O3S — CID 126891211

IUPACN-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(S(=O)(=O)N3CCCCCC3)CC2)ncn1
InChIInChI=1S/C19H31N5O3S/c1-27-19-14-18(20-15-21-19)24(16-6-7-16)17-8-12-23(13-9-17)28(25,26)22-10-4-2-3-5-11-22/h14-17H,2-13H2,1H3
InChIKeyUHFBURMNMMSJCX-UHFFFAOYSA-N
MW409.56 g/mol
LogP2.04
Rot. Bonds6

About N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine

N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine (PubChem CID 126891211) has the molecular formula C19H31N5O3S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
PubChem CID126891211
Molecular FormulaC19H31N5O3S
Molecular Weight409.56 g/mol
Exact Mass409.21
IUPAC NameN-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(S(=O)(=O)N3CCCCCC3)CC2)ncn1
InChIInChI=1S/C19H31N5O3S/c1-27-19-14-18(20-15-21-19)24(16-6-7-16)17-8-12-23(13-9-17)28(25,26)22-10-4-2-3-5-11-22/h14-17H,2-13H2,1H3
InChIKeyUHFBURMNMMSJCX-UHFFFAOYSA-N
XLogP2.04
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126891157
N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 126851874
N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126891176
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171326942
3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one
CID 126891300
N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891328
[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 126891112
3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126891105
3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 126891297
N-cyclopropyl-6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126891260
6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126891075
N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine
CID 171705072

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine (CID 126891211) is N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine is COc1cc(N(C2CC2)C2CCN(S(=O)(=O)N3CCCCCC3)CC2)ncn1.
What is the InChIKey of N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine?
The InChIKey is UHFBURMNMMSJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3S/c1-27-19-14-18(20-15-21-19)24(16-6-7-16)17-8-12-23(13-9-17)28(25,26)22-10-4-2-3-5-11-22/h14-17H,2-13H2,1H3.
What are the key properties of N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine?
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine has a molecular weight of 409.56 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 126891211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).