2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide

C9H14ClN5O — CID 80786812

IUPAC2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCNc1ncc(Cl)c(NC(C)C(N)=O)n1
InChIInChI=1S/C9H14ClN5O/c1-3-12-9-13-4-6(10)8(15-9)14-5(2)7(11)16/h4-5H,3H2,1-2H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyHHCDBNGLHDUQIT-UHFFFAOYSA-N
MW243.70 g/mol
LogP0.85
Rot. Bonds5

About 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide

2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80786812) has the molecular formula C9H14ClN5O and a molecular weight of 243.70 g/mol. Its IUPAC name is 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80786812
Molecular FormulaC9H14ClN5O
Molecular Weight243.70 g/mol
Exact Mass243.09
IUPAC Name2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCNc1ncc(Cl)c(NC(C)C(N)=O)n1
InChIInChI=1S/C9H14ClN5O/c1-3-12-9-13-4-6(10)8(15-9)14-5(2)7(11)16/h4-5H,3H2,1-2H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyHHCDBNGLHDUQIT-UHFFFAOYSA-N
XLogP0.85
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347504
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80801182
4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 80765829
5-chloro-2-N-ethyl-4-N-(3-ethylpentan-2-yl)pyrimidine-2,4-diamine
CID 80846037
5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine
CID 80822478
5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80800808
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide
CID 103113988
methyl 2-[(2,5-dichloropyrimidin-4-yl)amino]propanoate
CID 79632906
5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80802191
5-chloro-2-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80840435
5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148675

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide (CID 80786812) is 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide is CCNc1ncc(Cl)c(NC(C)C(N)=O)n1.
What is the InChIKey of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is HHCDBNGLHDUQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O/c1-3-12-9-13-4-6(10)8(15-9)14-5(2)7(11)16/h4-5H,3H2,1-2H3,(H2,11,16)(H2,12,13,14,15).
What are the key properties of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide?
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 243.70 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80786812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).