5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine

C13H18ClN5O — CID 133398235

IUPAC5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(N(C)CCCn2ccnc2C)n1
InChIInChI=1S/C13H18ClN5O/c1-10-15-5-8-19(10)7-4-6-18(2)12-11(14)9-16-13(17-12)20-3/h5,8-9H,4,6-7H2,1-3H3
InChIKeyVABUOZDFRLTNIS-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.17
Rot. Bonds6

About 5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine

5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine (PubChem CID 133398235) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine
PubChem CID133398235
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(N(C)CCCn2ccnc2C)n1
InChIInChI=1S/C13H18ClN5O/c1-10-15-5-8-19(10)7-4-6-18(2)12-11(14)9-16-13(17-12)20-3/h5,8-9H,4,6-7H2,1-3H3
InChIKeyVABUOZDFRLTNIS-UHFFFAOYSA-N
XLogP2.17
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 80758625
N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
CID 131900895
N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine
CID 133398160
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 80752001
N,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133398295
1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 80711299
5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine
CID 133398152
5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine
CID 50965256
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine
CID 80758520
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
(1R)-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 124614462
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine
CID 80747253

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine (CID 133398235) is 5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine is COc1ncc(Cl)c(N(C)CCCn2ccnc2C)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine?
The InChIKey is VABUOZDFRLTNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-10-15-5-8-19(10)7-4-6-18(2)12-11(14)9-16-13(17-12)20-3/h5,8-9H,4,6-7H2,1-3H3.
What are the key properties of 5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine?
5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine has a molecular weight of 295.77 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 133398235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).