2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide

C13H21ClN4O — CID 80938390

IUPAC2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCCCc1nc(Cl)cc(N(C)CC(=O)NC(C)C)n1
InChIInChI=1S/C13H21ClN4O/c1-5-6-11-16-10(14)7-12(17-11)18(4)8-13(19)15-9(2)3/h7,9H,5-6,8H2,1-4H3,(H,15,19)
InChIKeySRFGLIZCTIYXSN-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.04
Rot. Bonds6

About 2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide

2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide (PubChem CID 80938390) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
PubChem CID80938390
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCCCc1nc(Cl)cc(N(C)CC(=O)NC(C)C)n1
InChIInChI=1S/C13H21ClN4O/c1-5-6-11-16-10(14)7-12(17-11)18(4)8-13(19)15-9(2)3/h7,9H,5-6,8H2,1-4H3,(H,15,19)
InChIKeySRFGLIZCTIYXSN-UHFFFAOYSA-N
XLogP2.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 106767496
2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80935631
2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 80939213
2-[methyl-[[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-propan-2-ylpyrimidin-2-yl]methyl]amino]-N-propan-2-ylacetamide
CID 71849240
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80939229
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 137009371
6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 80939424
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
CID 102715690
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide
CID 102757357
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80820844
3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80945445
2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 80961506

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide (CID 80938390) is 2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide is CCCc1nc(Cl)cc(N(C)CC(=O)NC(C)C)n1.
What is the InChIKey of 2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
The InChIKey is SRFGLIZCTIYXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-5-6-11-16-10(14)7-12(17-11)18(4)8-13(19)15-9(2)3/h7,9H,5-6,8H2,1-4H3,(H,15,19).
What are the key properties of 2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide has a molecular weight of 284.79 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80938390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).