N-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine

C14H24ClN3 — CID 63727976

IUPACN-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine
SMILESCCCCN(c1nc(C)nc(Cl)c1C)C(C)CC
InChIInChI=1S/C14H24ClN3/c1-6-8-9-18(10(3)7-2)14-11(4)13(15)16-12(5)17-14/h10H,6-9H2,1-5H3
InChIKeyFSKKHVQTFCFQAJ-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.15
Rot. Bonds6

About N-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine

N-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine (PubChem CID 63727976) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine
PubChem CID63727976
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC NameN-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine
SMILESCCCCN(c1nc(C)nc(Cl)c1C)C(C)CC
InChIInChI=1S/C14H24ClN3/c1-6-8-9-18(10(3)7-2)14-11(4)13(15)16-12(5)17-14/h10H,6-9H2,1-5H3
InChIKeyFSKKHVQTFCFQAJ-UHFFFAOYSA-N
XLogP4.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972379
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104553285
6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine
CID 102757349
N-butan-2-yl-N-butyl-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102761856
N'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 63730048
4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine
CID 80735715
6-chloro-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine
CID 63728451
6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80979560
6-chloro-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63728632
N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine
CID 55197665
6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine
CID 80970520
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80972297

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine (CID 63727976) is N-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine is CCCCN(c1nc(C)nc(Cl)c1C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine?
The InChIKey is FSKKHVQTFCFQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-6-8-9-18(10(3)7-2)14-11(4)13(15)16-12(5)17-14/h10H,6-9H2,1-5H3.
What are the key properties of N-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine?
N-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine has a molecular weight of 269.82 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63727976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).