2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol

C17H28N4O — CID 110090206

IUPAC2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol
SMILESCNc1cc(CC2CCN(C3CCCCC3O)CC2)ncn1
InChIInChI=1S/C17H28N4O/c1-18-17-11-14(19-12-20-17)10-13-6-8-21(9-7-13)15-4-2-3-5-16(15)22/h11-13,15-16,22H,2-10H2,1H3,(H,18,19,20)
InChIKeyQJMLAIOOVJRSBI-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.08
Rot. Bonds4

About 2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol

2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 110090206) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol
PubChem CID110090206
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol
SMILESCNc1cc(CC2CCN(C3CCCCC3O)CC2)ncn1
InChIInChI=1S/C17H28N4O/c1-18-17-11-14(19-12-20-17)10-13-6-8-21(9-7-13)15-4-2-3-5-16(15)22/h11-13,15-16,22H,2-10H2,1H3,(H,18,19,20)
InChIKeyQJMLAIOOVJRSBI-UHFFFAOYSA-N
XLogP2.08
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol (CID 110090206) is 2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol is CNc1cc(CC2CCN(C3CCCCC3O)CC2)ncn1.
What is the InChIKey of 2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is QJMLAIOOVJRSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-18-17-11-14(19-12-20-17)10-13-6-8-21(9-7-13)15-4-2-3-5-16(15)22/h11-13,15-16,22H,2-10H2,1H3,(H,18,19,20).
What are the key properties of 2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol?
2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 304.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 110090206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).