3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide

C8H12ClN5O — CID 80787750

IUPAC3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
SMILESCNc1ncc(Cl)c(NCCC(N)=O)n1
InChIInChI=1S/C8H12ClN5O/c1-11-8-13-4-5(9)7(14-8)12-3-2-6(10)15/h4H,2-3H2,1H3,(H2,10,15)(H2,11,12,13,14)
InChIKeyFLMOODWXHWINGH-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.46
Rot. Bonds5

About 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide

3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80787750) has the molecular formula C8H12ClN5O and a molecular weight of 229.67 g/mol. Its IUPAC name is 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80787750
Molecular FormulaC8H12ClN5O
Molecular Weight229.67 g/mol
Exact Mass229.07
IUPAC Name3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
SMILESCNc1ncc(Cl)c(NCCC(N)=O)n1
InChIInChI=1S/C8H12ClN5O/c1-11-8-13-4-5(9)7(14-8)12-3-2-6(10)15/h4H,2-3H2,1H3,(H2,10,15)(H2,11,12,13,14)
InChIKeyFLMOODWXHWINGH-UHFFFAOYSA-N
XLogP0.46
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80903270
5-chloro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336805
4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797848
3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80787004
4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248775
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80851413
3-[[5-amino-2-[(3,4-dichlorophenyl)methylamino]pyrimidin-4-yl]amino]propanamide
CID 68540665
5-chloro-4-N-(3-imidazol-1-ylpropyl)-2-N-methylpyrimidine-2,4-diamine
CID 80753932
5-chloro-2-N-methyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80849598
5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80822914
N-butan-2-yl-3-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80819644
5-chloro-2-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80848842

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide (CID 80787750) is 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide is CNc1ncc(Cl)c(NCCC(N)=O)n1.
What is the InChIKey of 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is FLMOODWXHWINGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN5O/c1-11-8-13-4-5(9)7(14-8)12-3-2-6(10)15/h4H,2-3H2,1H3,(H2,10,15)(H2,11,12,13,14).
What are the key properties of 3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide?
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 229.67 g/mol, XLogP of 0.46, 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]propanamide is sourced from PubChem (CID 80787750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).