6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine

C11H18ClN3 — CID 63728063

IUPAC6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1N(CC)C(C)C
InChIInChI=1S/C11H18ClN3/c1-5-9-10(12)13-7-14-11(9)15(6-2)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyKKPVUMXZNBUZBV-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.93
Rot. Bonds4

About 6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine

6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 63728063) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID63728063
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1N(CC)C(C)C
InChIInChI=1S/C11H18ClN3/c1-5-9-10(12)13-7-14-11(9)15(6-2)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyKKPVUMXZNBUZBV-UHFFFAOYSA-N
XLogP2.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 63729486
6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 63728486
N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995636
2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 55231039
6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine
CID 79491060
2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80811308
N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine
CID 63735417
2-N-(6-chloro-5-methoxypyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190317
2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 63729146
6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55229872
2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102865911
5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80810727

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine (CID 63728063) is 6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine is CCc1c(Cl)ncnc1N(CC)C(C)C.
What is the InChIKey of 6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is KKPVUMXZNBUZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-5-9-10(12)13-7-14-11(9)15(6-2)8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine?
6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 227.74 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63728063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).