4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile

C12H18ClN5 — CID 134097252

IUPAC4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile
SMILESCCN(CC)c1nc(Cl)c(C#N)c(NC(C)C)n1
InChIInChI=1S/C12H18ClN5/c1-5-18(6-2)12-16-10(13)9(7-14)11(17-12)15-8(3)4/h8H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyGCWGWMOMBAKNBM-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.67
Rot. Bonds5

About 4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile

4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile (PubChem CID 134097252) has the molecular formula C12H18ClN5 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile
PubChem CID134097252
Molecular FormulaC12H18ClN5
Molecular Weight267.76 g/mol
Exact Mass267.13
IUPAC Name4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile
SMILESCCN(CC)c1nc(Cl)c(C#N)c(NC(C)C)n1
InChIInChI=1S/C12H18ClN5/c1-5-18(6-2)12-16-10(13)9(7-14)11(17-12)15-8(3)4/h8H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyGCWGWMOMBAKNBM-UHFFFAOYSA-N
XLogP2.67
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile
CID 20510226
4-chloro-N,N-diethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 61382065
3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 619394
3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile
CID 63228323
4,6-dichloro-N,N-diethyl-5-propylpyrimidin-2-amine
CID 63612489
3-chloro-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile
CID 171987341
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62864543
4-(tert-butylamino)-6-chloro-2-(ethylamino)pyrimidine-5-carbonitrile
CID 134097040
4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 106195755
5-amino-1-[(3-chlorophenyl)methyl]-3-(propan-2-ylamino)pyrazole-4-carbonitrile
CID 102796523
3-chloro-1-ethyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine-4-carbonitrile
CID 97181778

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile (CID 134097252) is 4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile is CCN(CC)c1nc(Cl)c(C#N)c(NC(C)C)n1.
What is the InChIKey of 4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile?
The InChIKey is GCWGWMOMBAKNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5/c1-5-18(6-2)12-16-10(13)9(7-14)11(17-12)15-8(3)4/h8H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of 4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile?
4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile has a molecular weight of 267.76 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 134097252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).