N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine

C12H17N5O2 — CID 61349454

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
SMILESCOc1ncnc(OC)c1CNCc1cnn(C)c1
InChIInChI=1S/C12H17N5O2/c1-17-7-9(5-16-17)4-13-6-10-11(18-2)14-8-15-12(10)19-3/h5,7-8,13H,4,6H2,1-3H3
InChIKeyJJCKUSUQNVERIA-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.52
Rot. Bonds6

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 61349454) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID61349454
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
SMILESCOc1ncnc(OC)c1CNCc1cnn(C)c1
InChIInChI=1S/C12H17N5O2/c1-17-7-9(5-16-17)4-13-6-10-11(18-2)14-8-15-12(10)19-3/h5,7-8,13H,4,6H2,1-3H3
InChIKeyJJCKUSUQNVERIA-UHFFFAOYSA-N
XLogP0.52
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966602
1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54979175
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61034807
6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66327674
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 43370784
N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80709626
4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine
CID 61350220
2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile
CID 106787213
(E)-3-chloro-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 107899772
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 107319921
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 122166833

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine (CID 61349454) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine is COc1ncnc(OC)c1CNCc1cnn(C)c1.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is JJCKUSUQNVERIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-17-7-9(5-16-17)4-13-6-10-11(18-2)14-8-15-12(10)19-3/h5,7-8,13H,4,6H2,1-3H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 263.30 g/mol, XLogP of 0.52, 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-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 61349454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).