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

C13H21FN4O — CID 80843585

IUPAC1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNc2nc(N)ncc2F)CC1
InChIInChI=1S/C13H21FN4O/c1-12(2)3-5-13(19,6-4-12)8-17-10-9(14)7-16-11(15)18-10/h7,19H,3-6,8H2,1-2H3,(H3,15,16,17,18)
InChIKeyKOMDKPNXEJZBGG-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.94
Rot. Bonds3

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

1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 80843585) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID80843585
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNc2nc(N)ncc2F)CC1
InChIInChI=1S/C13H21FN4O/c1-12(2)3-5-13(19,6-4-12)8-17-10-9(14)7-16-11(15)18-10/h7,19H,3-6,8H2,1-2H3,(H3,15,16,17,18)
InChIKeyKOMDKPNXEJZBGG-UHFFFAOYSA-N
XLogP1.94
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81131918
1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 79728045
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 80843021
1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842338
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80843018
1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 79075802
4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80843418
1-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80842534
5-fluoro-4-N-(1-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80819842
1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 83265937
1-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80826151
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 80843585) is 1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)(CNc2nc(N)ncc2F)CC1.
What is the InChIKey of 1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is KOMDKPNXEJZBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-12(2)3-5-13(19,6-4-12)8-17-10-9(14)7-16-11(15)18-10/h7,19H,3-6,8H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 268.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 80843585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).