N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine

C11H18ClN3O — CID 106153905

IUPACN-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine
SMILESCOCC(CCCl)Nc1nc(C)cc(C)n1
InChIInChI=1S/C11H18ClN3O/c1-8-6-9(2)14-11(13-8)15-10(4-5-12)7-16-3/h6,10H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyRBHJUEBQGKJZAK-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.15
Rot. Bonds6

About N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine

N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 106153905) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine
PubChem CID106153905
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC NameN-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine
SMILESCOCC(CCCl)Nc1nc(C)cc(C)n1
InChIInChI=1S/C11H18ClN3O/c1-8-6-9(2)14-11(13-8)15-10(4-5-12)7-16-3/h6,10H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyRBHJUEBQGKJZAK-UHFFFAOYSA-N
XLogP2.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491509
N-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine
CID 106154077
N-(4-chloro-1-methoxybutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 114150928
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156
2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine
CID 80836840
3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol
CID 114156370
N-[1-(4-chlorophenyl)-3-methoxypropyl]-4,6-dimethylpyrimidin-2-amine
CID 133380840
N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine
CID 114150865
N-(4-chlorobutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635800
N-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine
CID 106153817
N-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine
CID 106153854
N-(4-chloro-1-methoxybutan-2-yl)-1H-benzimidazol-2-amine
CID 106153820

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine (CID 106153905) is N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine is COCC(CCCl)Nc1nc(C)cc(C)n1.
What is the InChIKey of N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is RBHJUEBQGKJZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-8-6-9(2)14-11(13-8)15-10(4-5-12)7-16-3/h6,10H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine?
N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 243.74 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 106153905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).