1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C15H25N3O — CID 65110383

IUPAC1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1cc(NCC2(O)CCCCC2)nc(C(C)C)n1
InChIInChI=1S/C15H25N3O/c1-11(2)14-17-12(3)9-13(18-14)16-10-15(19)7-5-4-6-8-15/h9,11,19H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyVBVSIWQJOLPGMQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.02
Rot. Bonds4

About 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65110383) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65110383
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1cc(NCC2(O)CCCCC2)nc(C(C)C)n1
InChIInChI=1S/C15H25N3O/c1-11(2)14-17-12(3)9-13(18-14)16-10-15(19)7-5-4-6-8-15/h9,11,19H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyVBVSIWQJOLPGMQ-UHFFFAOYSA-N
XLogP3.02
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 65110383) is 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is Cc1cc(NCC2(O)CCCCC2)nc(C(C)C)n1.
What is the InChIKey of 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is VBVSIWQJOLPGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)14-17-12(3)9-13(18-14)16-10-15(19)7-5-4-6-8-15/h9,11,19H,4-8,10H2,1-3H3,(H,16,17,18).
What are the key properties of 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65110383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).