N-[[2-(6-methoxypyridazin-3-yl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine

C15H19N5O — CID 103375222

IUPACN-[[2-(6-methoxypyridazin-3-yl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2nc(C)c(CNC3CC3)c(C)n2)nn1
InChIInChI=1S/C15H19N5O/c1-9-12(8-16-11-4-5-11)10(2)18-15(17-9)13-6-7-14(21-3)20-19-13/h6-7,11,16H,4-5,8H2,1-3H3
InChIKeyRUGTWGHFCFJOEI-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.81
Rot. Bonds5

About N-[[2-(6-methoxypyridazin-3-yl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-(6-methoxypyridazin-3-yl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 103375222) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[[2-(6-methoxypyridazin-3-yl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(6-methoxypyridazin-3-yl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID103375222
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[[2-(6-methoxypyridazin-3-yl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2nc(C)c(CNC3CC3)c(C)n2)nn1
InChIInChI=1S/C15H19N5O/c1-9-12(8-16-11-4-5-11)10(2)18-15(17-9)13-6-7-14(21-3)20-19-13/h6-7,11,16H,4-5,8H2,1-3H3
InChIKeyRUGTWGHFCFJOEI-UHFFFAOYSA-N
XLogP1.81
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
CID 62746207
N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine
CID 63989194
N-[[4,6-dimethyl-2-(3-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62746699
N-[[6-(4-methoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62323240
N-[[2-(3-bromo-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine
CID 82790078
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62746529
6-ethyl-2-(6-methoxypyridazin-3-yl)-N,5-dimethylpyrimidin-4-amine
CID 103375001
(1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431567
N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62746377
N-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62746521
N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 66276175
2-(6-methoxypyridazin-3-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 103374966

Frequently Asked Questions

What is the IUPAC name of N-[[2-(6-methoxypyridazin-3-yl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(6-methoxypyridazin-3-yl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine (CID 103375222) is N-[[2-(6-methoxypyridazin-3-yl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(6-methoxypyridazin-3-yl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(6-methoxypyridazin-3-yl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine is COc1ccc(-c2nc(C)c(CNC3CC3)c(C)n2)nn1.
What is the InChIKey of N-[[2-(6-methoxypyridazin-3-yl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is RUGTWGHFCFJOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-9-12(8-16-11-4-5-11)10(2)18-15(17-9)13-6-7-14(21-3)20-19-13/h6-7,11,16H,4-5,8H2,1-3H3.
What are the key properties of N-[[2-(6-methoxypyridazin-3-yl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-(6-methoxypyridazin-3-yl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 285.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6-methoxypyridazin-3-yl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103375222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).