(1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine

C12H15N5O — CID 156830398

IUPAC(1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine
SMILESCOc1ccc(CN[C@H](C)c2ncccn2)nn1
InChIInChI=1S/C12H15N5O/c1-9(12-13-6-3-7-14-12)15-8-10-4-5-11(18-2)17-16-10/h3-7,9,15H,8H2,1-2H3/t9-/m1/s1
InChIKeyLVJFCBOECIYORD-SECBINFHSA-N
MW245.29 g/mol
LogP1.13
Rot. Bonds5

About (1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine

(1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine (PubChem CID 156830398) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is (1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine
PubChem CID156830398
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name(1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine
SMILESCOc1ccc(CN[C@H](C)c2ncccn2)nn1
InChIInChI=1S/C12H15N5O/c1-9(12-13-6-3-7-14-12)15-8-10-4-5-11(18-2)17-16-10/h3-7,9,15H,8H2,1-2H3/t9-/m1/s1
InChIKeyLVJFCBOECIYORD-SECBINFHSA-N
XLogP1.13
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-methoxypyridazin-3-yl)methyl]-1-phenylethanamine
CID 114268555
(1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 175811445
(1R)-N-[(5-chloro-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830628
(1S)-N-[(5-chloro-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830681
(1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine
CID 156830173
N-[(5-bromopyrazin-2-yl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830289
2-N-[(6-methoxypyridazin-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 114268584
(1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 114268609
N-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine
CID 166710127
N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 43206290
N-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]methyl]propan-2-amine
CID 62291863
(6-ethoxypyridazin-3-yl)methyl N-(1-pyrimidin-2-ylethyl)carbamate
CID 166710004

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine?
The IUPAC name of (1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine (CID 156830398) is (1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine?
The canonical SMILES for (1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine is COc1ccc(CN[C@H](C)c2ncccn2)nn1.
What is the InChIKey of (1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine?
The InChIKey is LVJFCBOECIYORD-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9(12-13-6-3-7-14-12)15-8-10-4-5-11(18-2)17-16-10/h3-7,9,15H,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine?
(1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine has a molecular weight of 245.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 156830398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).