1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol

C15H23N3O — CID 63184263

IUPAC1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2ncnc3c2CCC3)C1
InChIInChI=1S/C15H23N3O/c1-11-4-3-7-15(19,8-11)9-16-14-12-5-2-6-13(12)17-10-18-14/h10-11,19H,2-9H2,1H3,(H,16,17,18)
InChIKeyAHAWXHNNPYMSAT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.32
Rot. Bonds3

About 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol

1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol (PubChem CID 63184263) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol
PubChem CID63184263
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2ncnc3c2CCC3)C1
InChIInChI=1S/C15H23N3O/c1-11-4-3-7-15(19,8-11)9-16-14-12-5-2-6-13(12)17-10-18-14/h10-11,19H,2-9H2,1H3,(H,16,17,18)
InChIKeyAHAWXHNNPYMSAT-UHFFFAOYSA-N
XLogP2.32
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol (CID 63184263) is 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNc2ncnc3c2CCC3)C1.
What is the InChIKey of 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol?
The InChIKey is AHAWXHNNPYMSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-4-3-7-15(19,8-11)9-16-14-12-5-2-6-13(12)17-10-18-14/h10-11,19H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol?
1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 63184263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).