N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine

C12H20ClN3O — CID 112635531

IUPACN-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(N(C)CC(C)Cl)n1
InChIInChI=1S/C12H20ClN3O/c1-8(2)17-11-6-10(4)14-12(15-11)16(5)7-9(3)13/h6,8-9H,7H2,1-5H3
InChIKeyBRFHNXRUEQISKY-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.64
Rot. Bonds5

About N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine

N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 112635531) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine
PubChem CID112635531
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC NameN-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(N(C)CC(C)Cl)n1
InChIInChI=1S/C12H20ClN3O/c1-8(2)17-11-6-10(4)14-12(15-11)16(5)7-9(3)13/h6,8-9H,7H2,1-5H3
InChIKeyBRFHNXRUEQISKY-UHFFFAOYSA-N
XLogP2.64
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107207107
N-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine
CID 112635692
4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid
CID 112634351
methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate
CID 115973708
N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 112635420
4-methyl-6-propan-2-yloxypyrimidine-2-carbaldehyde
CID 83875379
2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid
CID 115973161
N'-cyclobutyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 102874839
N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494359
N-(2-bromocyclohexyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine
CID 102637651
methyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate
CID 115973715
1-N,1-N-diethyl-2-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
CID 115974900

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine (CID 112635531) is N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine is Cc1cc(OC(C)C)nc(N(C)CC(C)Cl)n1.
What is the InChIKey of N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is BRFHNXRUEQISKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-8(2)17-11-6-10(4)14-12(15-11)16(5)7-9(3)13/h6,8-9H,7H2,1-5H3.
What are the key properties of N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine?
N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 257.76 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112635531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).