N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine

C12H15N5O2 — CID 106895038

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine
SMILESCOc1ncnc(OC)c1CNCc1cccnn1
InChIInChI=1S/C12H15N5O2/c1-18-11-10(12(19-2)15-8-14-11)7-13-6-9-4-3-5-16-17-9/h3-5,8,13H,6-7H2,1-2H3
InChIKeyDLICTUNHPIVIAA-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.57
Rot. Bonds6

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine (PubChem CID 106895038) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine
PubChem CID106895038
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine
SMILESCOc1ncnc(OC)c1CNCc1cccnn1
InChIInChI=1S/C12H15N5O2/c1-18-11-10(12(19-2)15-8-14-11)7-13-6-9-4-3-5-16-17-9/h3-5,8,13H,6-7H2,1-2H3
InChIKeyDLICTUNHPIVIAA-UHFFFAOYSA-N
XLogP0.57
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 61016172
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 81170956
2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895861
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895882
2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine
CID 106895779
6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897364
N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106834065
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine
CID 43552093
1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine
CID 43552155
4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895756
methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate
CID 106895872
1-(4,6-dimethoxypyrimidin-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 54895853

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine (CID 106895038) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine is COc1ncnc(OC)c1CNCc1cccnn1.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine?
The InChIKey is DLICTUNHPIVIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-18-11-10(12(19-2)15-8-14-11)7-13-6-9-4-3-5-16-17-9/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine has a molecular weight of 261.28 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine is sourced from PubChem (CID 106895038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).