6-chloro-N-(1-cyclopropylbutan-2-yl)-5-ethylpyrimidin-4-amine

C13H20ClN3 — CID 63996761

IUPAC6-chloro-N-(1-cyclopropylbutan-2-yl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NC(CC)CC1CC1
InChIInChI=1S/C13H20ClN3/c1-3-10(7-9-5-6-9)17-13-11(4-2)12(14)15-8-16-13/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyMOXXFPSHPCATHH-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.68
Rot. Bonds6

About 6-chloro-N-(1-cyclopropylbutan-2-yl)-5-ethylpyrimidin-4-amine

6-chloro-N-(1-cyclopropylbutan-2-yl)-5-ethylpyrimidin-4-amine (PubChem CID 63996761) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 6-chloro-N-(1-cyclopropylbutan-2-yl)-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1-cyclopropylbutan-2-yl)-5-ethylpyrimidin-4-amine
PubChem CID63996761
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name6-chloro-N-(1-cyclopropylbutan-2-yl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NC(CC)CC1CC1
InChIInChI=1S/C13H20ClN3/c1-3-10(7-9-5-6-9)17-13-11(4-2)12(14)15-8-16-13/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyMOXXFPSHPCATHH-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(1-cyclopropylbutan-2-yl)-5-nitropyrimidin-4-amine
CID 63995169
6-chloro-N-(1-cyclohexylethyl)-5-ethylpyrimidin-4-amine
CID 63728520
6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
CID 63734410
5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine
CID 79556553
5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine
CID 103582526
N-(1-cyclopropylbutan-2-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
CID 114203179
6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80769783
6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 63729756
6-chloro-2-N-(1-cyclopropylbutan-2-yl)pyridine-2,3-diamine
CID 115474196
6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine
CID 80818386
6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
CID 106193524
N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine
CID 66324981

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-cyclopropylbutan-2-yl)-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1-cyclopropylbutan-2-yl)-5-ethylpyrimidin-4-amine (CID 63996761) is 6-chloro-N-(1-cyclopropylbutan-2-yl)-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1-cyclopropylbutan-2-yl)-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1-cyclopropylbutan-2-yl)-5-ethylpyrimidin-4-amine is CCc1c(Cl)ncnc1NC(CC)CC1CC1.
What is the InChIKey of 6-chloro-N-(1-cyclopropylbutan-2-yl)-5-ethylpyrimidin-4-amine?
The InChIKey is MOXXFPSHPCATHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-3-10(7-9-5-6-9)17-13-11(4-2)12(14)15-8-16-13/h8-10H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(1-cyclopropylbutan-2-yl)-5-ethylpyrimidin-4-amine?
6-chloro-N-(1-cyclopropylbutan-2-yl)-5-ethylpyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-cyclopropylbutan-2-yl)-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 63996761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).