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

C8H13ClN4O — CID 80778757

IUPAC2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCNc1ncc(Cl)c(NC(C)CO)n1
InChIInChI=1S/C8H13ClN4O/c1-5(4-14)12-7-6(9)3-11-8(10-2)13-7/h3,5,14H,4H2,1-2H3,(H2,10,11,12,13)
InChIKeyHOYHTJFDKJMBDX-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.96
Rot. Bonds4

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

2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 80778757) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID80778757
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCNc1ncc(Cl)c(NC(C)CO)n1
InChIInChI=1S/C8H13ClN4O/c1-5(4-14)12-7-6(9)3-11-8(10-2)13-7/h3,5,14H,4H2,1-2H3,(H2,10,11,12,13)
InChIKeyHOYHTJFDKJMBDX-UHFFFAOYSA-N
XLogP0.96
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180608
5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80844103
5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine
CID 80831177
5-chloro-2-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
CID 80811720
5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine
CID 80804226
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
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80851413
5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80800808
5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80807513
5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114115361

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol (CID 80778757) is 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol is CNc1ncc(Cl)c(NC(C)CO)n1.
What is the InChIKey of 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is HOYHTJFDKJMBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O/c1-5(4-14)12-7-6(9)3-11-8(10-2)13-7/h3,5,14H,4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 216.67 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 80778757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).