1-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol

C13H21N3O — CID 54901974

IUPAC1-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1nccc(CNCC2(O)CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-11-15-8-5-12(16-11)9-14-10-13(17)6-3-2-4-7-13/h5,8,14,17H,2-4,6-7,9-10H2,1H3
InChIKeyRTCPEWDQXBECEN-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.57
Rot. Bonds4

About 1-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol

1-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 54901974) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID54901974
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1nccc(CNCC2(O)CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-11-15-8-5-12(16-11)9-14-10-13(17)6-3-2-4-7-13/h5,8,14,17H,2-4,6-7,9-10H2,1H3
InChIKeyRTCPEWDQXBECEN-UHFFFAOYSA-N
XLogP1.57
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol (CID 54901974) is 1-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol is Cc1nccc(CNCC2(O)CCCCC2)n1.
What is the InChIKey of 1-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is RTCPEWDQXBECEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-15-8-5-12(16-11)9-14-10-13(17)6-3-2-4-7-13/h5,8,14,17H,2-4,6-7,9-10H2,1H3.
What are the key properties of 1-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol?
1-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methylpyrimidin-4-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 54901974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).