N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine

C10H16ClN3 — CID 62483143

IUPACN-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine
SMILESCCCCN(C)c1cc(Cl)nc(C)n1
InChIInChI=1S/C10H16ClN3/c1-4-5-6-14(3)10-7-9(11)12-8(2)13-10/h7H,4-6H2,1-3H3
InChIKeyFESBVOSNBRYBHG-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.67
Rot. Bonds4

About N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine

N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine (PubChem CID 62483143) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine
PubChem CID62483143
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC NameN-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine
SMILESCCCCN(C)c1cc(Cl)nc(C)n1
InChIInChI=1S/C10H16ClN3/c1-4-5-6-14(3)10-7-9(11)12-8(2)13-10/h7H,4-6H2,1-3H3
InChIKeyFESBVOSNBRYBHG-UHFFFAOYSA-N
XLogP2.67
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-butyl-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80753579
2-[butyl(methyl)amino]-6-chloropyridine-4-carbonitrile
CID 83074694
4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112876377
4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112870573
2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine
CID 80953907
4-N-benzyl-6-N-butyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112876085
4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112876442
6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 112846922
6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112846981
4-N-butyl-4-N-methylpyrimidine-2,4,6-triamine
CID 78982418
4-N-butyl-2-N,2-N-diethyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112924207
6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 63860494

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine (CID 62483143) is N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine is CCCCN(C)c1cc(Cl)nc(C)n1.
What is the InChIKey of N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine?
The InChIKey is FESBVOSNBRYBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-4-5-6-14(3)10-7-9(11)12-8(2)13-10/h7H,4-6H2,1-3H3.
What are the key properties of N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine?
N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine has a molecular weight of 213.71 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 62483143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).