3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C15H26N4O — CID 106138483

IUPAC3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1c(N)nc(C(C)C)nc1NCC1CCCC(O)C1
InChIInChI=1S/C15H26N4O/c1-9(2)14-18-13(16)10(3)15(19-14)17-8-11-5-4-6-12(20)7-11/h9,11-12,20H,4-8H2,1-3H3,(H3,16,17,18,19)
InChIKeyWZYTVZVKJXIGSZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.45
Rot. Bonds4

About 3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106138483) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106138483
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1c(N)nc(C(C)C)nc1NCC1CCCC(O)C1
InChIInChI=1S/C15H26N4O/c1-9(2)14-18-13(16)10(3)15(19-14)17-8-11-5-4-6-12(20)7-11/h9,11-12,20H,4-8H2,1-3H3,(H3,16,17,18,19)
InChIKeyWZYTVZVKJXIGSZ-UHFFFAOYSA-N
XLogP2.45
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

[2-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 80992379
3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106137926
N-(cyclopropylmethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001481
2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80994208
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 80991783
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 114148682
5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80982944
5,6-dimethyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 110277769
3-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106138103
6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 107421253
2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 103878080
3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 106129708

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 106138483) is 3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is Cc1c(N)nc(C(C)C)nc1NCC1CCCC(O)C1.
What is the InChIKey of 3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is WZYTVZVKJXIGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-9(2)14-18-13(16)10(3)15(19-14)17-8-11-5-4-6-12(20)7-11/h9,11-12,20H,4-8H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106138483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).