[[1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-yl]amino]methanol

C12H23N3O — CID 71179388

IUPAC[[1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-yl]amino]methanol
SMILESCC1CCC(N2CCCN=C2NCO)CC1
InChIInChI=1S/C12H23N3O/c1-10-3-5-11(6-4-10)15-8-2-7-13-12(15)14-9-16/h10-11,16H,2-9H2,1H3,(H,13,14)
InChIKeyKPURCOPFOIGMIB-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.17
Rot. Bonds2

About [[1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-yl]amino]methanol

[[1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-yl]amino]methanol (PubChem CID 71179388) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is [[1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-yl]amino]methanol.

Molecular Properties

Compound Name[[1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-yl]amino]methanol
PubChem CID71179388
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name[[1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-yl]amino]methanol
SMILESCC1CCC(N2CCCN=C2NCO)CC1
InChIInChI=1S/C12H23N3O/c1-10-3-5-11(6-4-10)15-8-2-7-13-12(15)14-9-16/h10-11,16H,2-9H2,1H3,(H,13,14)
InChIKeyKPURCOPFOIGMIB-UHFFFAOYSA-N
XLogP1.17
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-yl]amino]methanol?
The IUPAC name of [[1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-yl]amino]methanol (CID 71179388) is [[1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-yl]amino]methanol.
What is the SMILES notation for [[1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-yl]amino]methanol?
The canonical SMILES for [[1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-yl]amino]methanol is CC1CCC(N2CCCN=C2NCO)CC1.
What is the InChIKey of [[1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-yl]amino]methanol?
The InChIKey is KPURCOPFOIGMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10-3-5-11(6-4-10)15-8-2-7-13-12(15)14-9-16/h10-11,16H,2-9H2,1H3,(H,13,14).
What are the key properties of [[1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-yl]amino]methanol?
[[1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-yl]amino]methanol has a molecular weight of 225.34 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-yl]amino]methanol is sourced from PubChem (CID 71179388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).