3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol

C9H15ClN4O — CID 83180608

IUPAC3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCNc1ncc(Cl)c(NC(C)CCO)n1
InChIInChI=1S/C9H15ClN4O/c1-6(3-4-15)13-8-7(10)5-12-9(11-2)14-8/h5-6,15H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyRSXRMPRBAUXKOX-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.35
Rot. Bonds5

About 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol

3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 83180608) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
PubChem CID83180608
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCNc1ncc(Cl)c(NC(C)CCO)n1
InChIInChI=1S/C9H15ClN4O/c1-6(3-4-15)13-8-7(10)5-12-9(11-2)14-8/h5-6,15H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyRSXRMPRBAUXKOX-UHFFFAOYSA-N
XLogP1.35
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80778757
5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80844103
5-chloro-2-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
CID 80811720
5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine
CID 80831177
5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80800808
5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine
CID 80804226
5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine
CID 80822478
(3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol
CID 130617035
3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 80904346
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide
CID 103113988
4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 80765829
5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80780925

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol (CID 83180608) is 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol is CNc1ncc(Cl)c(NC(C)CCO)n1.
What is the InChIKey of 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is RSXRMPRBAUXKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-6(3-4-15)13-8-7(10)5-12-9(11-2)14-8/h5-6,15H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol?
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 230.70 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 83180608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).