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

C12H20ClN5O — CID 80801182

IUPAC2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc(NCC)ncc1Cl
InChIInChI=1S/C12H20ClN5O/c1-4-6-15-11(19)8(3)17-10-9(13)7-16-12(18-10)14-5-2/h7-8H,4-6H2,1-3H3,(H,15,19)(H2,14,16,17,18)
InChIKeySIQXWZKWSLFLPE-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.89
Rot. Bonds7

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

2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide (PubChem CID 80801182) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
PubChem CID80801182
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc(NCC)ncc1Cl
InChIInChI=1S/C12H20ClN5O/c1-4-6-15-11(19)8(3)17-10-9(13)7-16-12(18-10)14-5-2/h7-8H,4-6H2,1-3H3,(H,15,19)(H2,14,16,17,18)
InChIKeySIQXWZKWSLFLPE-UHFFFAOYSA-N
XLogP1.89
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80786812
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347504
4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 80765829
5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine
CID 80822478
5-chloro-2-N-ethyl-4-N-(3-ethylpentan-2-yl)pyrimidine-2,4-diamine
CID 80846037
5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148675
N-butan-2-yl-3-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80819644
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
5-chloro-2-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80840435
5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80802191

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide (CID 80801182) is 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1nc(NCC)ncc1Cl.
What is the InChIKey of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
The InChIKey is SIQXWZKWSLFLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-4-6-15-11(19)8(3)17-10-9(13)7-16-12(18-10)14-5-2/h7-8H,4-6H2,1-3H3,(H,15,19)(H2,14,16,17,18).
What are the key properties of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide has a molecular weight of 285.78 g/mol, XLogP of 1.89, 7 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]-N-propylpropanamide is sourced from PubChem (CID 80801182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).