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

C18H24N4O — CID 139009202

IUPAC2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol
SMILESCCCC(C)(O)CNc1nc(-c2cccnc2)nc2c1CCC2
InChIInChI=1S/C18H24N4O/c1-3-9-18(2,23)12-20-17-14-7-4-8-15(14)21-16(22-17)13-6-5-10-19-11-13/h5-6,10-11,23H,3-4,7-9,12H2,1-2H3,(H,20,21,22)
InChIKeyKCBNHGPYKCXPKK-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.99
Rot. Bonds6

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

2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 139009202) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol
PubChem CID139009202
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol
SMILESCCCC(C)(O)CNc1nc(-c2cccnc2)nc2c1CCC2
InChIInChI=1S/C18H24N4O/c1-3-9-18(2,23)12-20-17-14-7-4-8-15(14)21-16(22-17)13-6-5-10-19-11-13/h5-6,10-11,23H,3-4,7-9,12H2,1-2H3,(H,20,21,22)
InChIKeyKCBNHGPYKCXPKK-UHFFFAOYSA-N
XLogP2.99
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol (CID 139009202) is 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol is CCCC(C)(O)CNc1nc(-c2cccnc2)nc2c1CCC2.
What is the InChIKey of 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is KCBNHGPYKCXPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-9-18(2,23)12-20-17-14-7-4-8-15(14)21-16(22-17)13-6-5-10-19-11-13/h5-6,10-11,23H,3-4,7-9,12H2,1-2H3,(H,20,21,22).
What are the key properties of 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol?
2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 312.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 139009202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).