1-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-sulfonamide

C16H19N5O2S — CID 166331838

IUPAC1-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-sulfonamide
SMILESNS(=O)(=O)C1(CNc2nc(-c3cccnc3)nc3c2CCC3)CC1
InChIInChI=1S/C16H19N5O2S/c17-24(22,23)16(6-7-16)10-19-15-12-4-1-5-13(12)20-14(21-15)11-3-2-8-18-9-11/h2-3,8-9H,1,4-7,10H2,(H2,17,22,23)(H,19,20,21)
InChIKeyFDOYHKDJQJYDGX-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.26
Rot. Bonds5

About 1-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-sulfonamide

1-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-sulfonamide (PubChem CID 166331838) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 1-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-sulfonamide
PubChem CID166331838
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name1-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-sulfonamide
SMILESNS(=O)(=O)C1(CNc2nc(-c3cccnc3)nc3c2CCC3)CC1
InChIInChI=1S/C16H19N5O2S/c17-24(22,23)16(6-7-16)10-19-15-12-4-1-5-13(12)20-14(21-15)11-3-2-8-18-9-11/h2-3,8-9H,1,4-7,10H2,(H2,17,22,23)(H,19,20,21)
InChIKeyFDOYHKDJQJYDGX-UHFFFAOYSA-N
XLogP1.26
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-sulfonamide?
The IUPAC name of 1-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-sulfonamide (CID 166331838) is 1-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-sulfonamide.
What is the SMILES notation for 1-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-sulfonamide?
The canonical SMILES for 1-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-sulfonamide is NS(=O)(=O)C1(CNc2nc(-c3cccnc3)nc3c2CCC3)CC1.
What is the InChIKey of 1-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-sulfonamide?
The InChIKey is FDOYHKDJQJYDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c17-24(22,23)16(6-7-16)10-19-15-12-4-1-5-13(12)20-14(21-15)11-3-2-8-18-9-11/h2-3,8-9H,1,4-7,10H2,(H2,17,22,23)(H,19,20,21).
What are the key properties of 1-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-sulfonamide?
1-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-sulfonamide has a molecular weight of 345.43 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 166331838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).