2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide

C10H15ClN4O — CID 79075450

IUPAC2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(Cl)ncc1C
InChIInChI=1S/C10H15ClN4O/c1-3-4-12-8(16)6-13-9-7(2)5-14-10(11)15-9/h5H,3-4,6H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyUSSLLBNFRPBZHO-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.38
Rot. Bonds5

About 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide

2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide (PubChem CID 79075450) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide
PubChem CID79075450
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(Cl)ncc1C
InChIInChI=1S/C10H15ClN4O/c1-3-4-12-8(16)6-13-9-7(2)5-14-10(11)15-9/h5H,3-4,6H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyUSSLLBNFRPBZHO-UHFFFAOYSA-N
XLogP1.38
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide
CID 115356881
3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 79632812
N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750399
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
CID 102756189
3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819690
2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide
CID 103320685
2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide
CID 43402545
3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819584
2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-propylacetamide
CID 63271891
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide
CID 63023413
2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 79076599
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide
CID 80787327

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide (CID 79075450) is 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1nc(Cl)ncc1C.
What is the InChIKey of 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide?
The InChIKey is USSLLBNFRPBZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-3-4-12-8(16)6-13-9-7(2)5-14-10(11)15-9/h5H,3-4,6H2,1-2H3,(H,12,16)(H,13,14,15).
What are the key properties of 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide?
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide has a molecular weight of 242.71 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide is sourced from PubChem (CID 79075450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).