[1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol

C13H21BrN4O — CID 103968689

IUPAC[1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
SMILESCNc1ncc(Br)c(NCC2(CO)CCCCC2)n1
InChIInChI=1S/C13H21BrN4O/c1-15-12-16-7-10(14)11(18-12)17-8-13(9-19)5-3-2-4-6-13/h7,19H,2-6,8-9H2,1H3,(H2,15,16,17,18)
InChIKeyRMNIZQRKUUQUIK-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.64
Rot. Bonds5

About [1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol

[1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol (PubChem CID 103968689) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is [1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
PubChem CID103968689
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC Name[1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
SMILESCNc1ncc(Br)c(NCC2(CO)CCCCC2)n1
InChIInChI=1S/C13H21BrN4O/c1-15-12-16-7-10(14)11(18-12)17-8-13(9-19)5-3-2-4-6-13/h7,19H,2-6,8-9H2,1H3,(H2,15,16,17,18)
InChIKeyRMNIZQRKUUQUIK-UHFFFAOYSA-N
XLogP2.64
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

[1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968793
5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
CID 80854676
5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine
CID 114110032
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80766138
1-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80828340
3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771885
[1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 114836032
5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 80819201
[1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 104507130
[1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968719
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol
CID 105060887
5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine
CID 80771027

Frequently Asked Questions

What is the IUPAC name of [1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol (CID 103968689) is [1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol is CNc1ncc(Br)c(NCC2(CO)CCCCC2)n1.
What is the InChIKey of [1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
The InChIKey is RMNIZQRKUUQUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/c1-15-12-16-7-10(14)11(18-12)17-8-13(9-19)5-3-2-4-6-13/h7,19H,2-6,8-9H2,1H3,(H2,15,16,17,18).
What are the key properties of [1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
[1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol has a molecular weight of 329.24 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103968689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).