2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide

C12H19N5O — CID 80967066

IUPAC2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCNc1cc(NC(C)C(N)=O)nc(C2CC2)n1
InChIInChI=1S/C12H19N5O/c1-3-14-9-6-10(15-7(2)11(13)18)17-12(16-9)8-4-5-8/h6-8H,3-5H2,1-2H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyDSNSJUHXDQBQMP-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.07
Rot. Bonds6

About 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide

2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80967066) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80967066
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCNc1cc(NC(C)C(N)=O)nc(C2CC2)n1
InChIInChI=1S/C12H19N5O/c1-3-14-9-6-10(15-7(2)11(13)18)17-12(16-9)8-4-5-8/h6-8H,3-5H2,1-2H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyDSNSJUHXDQBQMP-UHFFFAOYSA-N
XLogP1.07
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80967928
2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80967067
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide
CID 80966811
methyl 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80961777
methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
CID 80801920
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide
CID 133420673
1-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80956690
3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80959054
2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80960493
2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 80959752
2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106770807
2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide (CID 80967066) is 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide is CCNc1cc(NC(C)C(N)=O)nc(C2CC2)n1.
What is the InChIKey of 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is DSNSJUHXDQBQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-14-9-6-10(15-7(2)11(13)18)17-12(16-9)8-4-5-8/h6-8H,3-5H2,1-2H3,(H2,13,18)(H2,14,15,16,17).
What are the key properties of 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide?
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 249.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80967066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).