1-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

C15H26N4O — CID 80842534

IUPAC1-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCc1nc(N)c(C)c(NCC2(O)CCC(C)(C)CC2)n1
InChIInChI=1S/C15H26N4O/c1-10-12(16)18-11(2)19-13(10)17-9-15(20)7-5-14(3,4)6-8-15/h20H,5-9H2,1-4H3,(H3,16,17,18,19)
InChIKeyGMKYVCUUJVJVJS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.42
Rot. Bonds3

About 1-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

1-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 80842534) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID80842534
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCc1nc(N)c(C)c(NCC2(O)CCC(C)(C)CC2)n1
InChIInChI=1S/C15H26N4O/c1-10-12(16)18-11(2)19-13(10)17-9-15(20)7-5-14(3,4)6-8-15/h20H,5-9H2,1-4H3,(H3,16,17,18,19)
InChIKeyGMKYVCUUJVJVJS-UHFFFAOYSA-N
XLogP2.42
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

1-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80908971
1-[[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80992171
4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132271
1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80843585
6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol
CID 114009519
1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 83265937
3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 80851174
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80787729
ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate
CID 80789883
1-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80826151
1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80826718
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 113406499

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 80842534) is 1-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is Cc1nc(N)c(C)c(NCC2(O)CCC(C)(C)CC2)n1.
What is the InChIKey of 1-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is GMKYVCUUJVJVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10-12(16)18-11(2)19-13(10)17-9-15(20)7-5-14(3,4)6-8-15/h20H,5-9H2,1-4H3,(H3,16,17,18,19).
What are the key properties of 1-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
1-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 80842534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).