2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide

C13H22ClN5O — CID 80806625

IUPAC2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1nc(NCC)ncc1Cl
InChIInChI=1S/C13H22ClN5O/c1-5-7-19(9-11(20)18(3)4)12-10(14)8-16-13(17-12)15-6-2/h8H,5-7,9H2,1-4H3,(H,15,16,17)
InChIKeyMEYRKGJYWOOVDO-UHFFFAOYSA-N
MW299.81 g/mol
LogP1.87
Rot. Bonds7

About 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide

2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide (PubChem CID 80806625) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
PubChem CID80806625
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1nc(NCC)ncc1Cl
InChIInChI=1S/C13H22ClN5O/c1-5-7-19(9-11(20)18(3)4)12-10(14)8-16-13(17-12)15-6-2/h8H,5-7,9H2,1-4H3,(H,15,16,17)
InChIKeyMEYRKGJYWOOVDO-UHFFFAOYSA-N
XLogP1.87
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
CID 80805960
5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine
CID 80764996
2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 79632500
5-chloro-2-N-ethyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80795233
2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
CID 80806362
5-chloro-4-N-(2-ethoxyethyl)-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 81067674
5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80808649
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 103321134
5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine
CID 80799979
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-propylamino]-N,N-dimethylacetamide
CID 62868725
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 80779606
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 103326326

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide (CID 80806625) is 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1nc(NCC)ncc1Cl.
What is the InChIKey of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide?
The InChIKey is MEYRKGJYWOOVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-5-7-19(9-11(20)18(3)4)12-10(14)8-16-13(17-12)15-6-2/h8H,5-7,9H2,1-4H3,(H,15,16,17).
What are the key properties of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide?
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide has a molecular weight of 299.81 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 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]-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 80806625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).