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

C20H26N4O — CID 133344011

IUPAC2-methyl-2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1(CNc2nc(-c3ccccn3)nc3c2CCC3)CCCCC1O
InChIInChI=1S/C20H26N4O/c1-20(11-4-2-10-17(20)25)13-22-18-14-7-6-9-15(14)23-19(24-18)16-8-3-5-12-21-16/h3,5,8,12,17,25H,2,4,6-7,9-11,13H2,1H3,(H,22,23,24)
InChIKeyLSIAXBWZTOGXDH-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.38
Rot. Bonds4

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

2-methyl-2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 133344011) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-methyl-2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID133344011
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-methyl-2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1(CNc2nc(-c3ccccn3)nc3c2CCC3)CCCCC1O
InChIInChI=1S/C20H26N4O/c1-20(11-4-2-10-17(20)25)13-22-18-14-7-6-9-15(14)23-19(24-18)16-8-3-5-12-21-16/h3,5,8,12,17,25H,2,4,6-7,9-11,13H2,1H3,(H,22,23,24)
InChIKeyLSIAXBWZTOGXDH-UHFFFAOYSA-N
XLogP3.38
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-methyl-2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 133344011) is 2-methyl-2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-methyl-2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-methyl-2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is CC1(CNc2nc(-c3ccccn3)nc3c2CCC3)CCCCC1O.
What is the InChIKey of 2-methyl-2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is LSIAXBWZTOGXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-20(11-4-2-10-17(20)25)13-22-18-14-7-6-9-15(14)23-19(24-18)16-8-3-5-12-21-16/h3,5,8,12,17,25H,2,4,6-7,9-11,13H2,1H3,(H,22,23,24).
What are the key properties of 2-methyl-2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
2-methyl-2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 338.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 133344011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).