2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine

C18H21N5O — CID 133375431

IUPAC2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCOCc1nc(C)cc(NCc2ccccc2-n2ccc(C)n2)n1
InChIInChI=1S/C18H21N5O/c1-13-8-9-23(22-13)16-7-5-4-6-15(16)11-19-17-10-14(2)20-18(21-17)12-24-3/h4-10H,11-12H2,1-3H3,(H,19,20,21)
InChIKeyYIAWYJSXINDSGZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.04
Rot. Bonds6

About 2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine

2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 133375431) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine
PubChem CID133375431
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCOCc1nc(C)cc(NCc2ccccc2-n2ccc(C)n2)n1
InChIInChI=1S/C18H21N5O/c1-13-8-9-23(22-13)16-7-5-4-6-15(16)11-19-17-10-14(2)20-18(21-17)12-24-3/h4-10H,11-12H2,1-3H3,(H,19,20,21)
InChIKeyYIAWYJSXINDSGZ-UHFFFAOYSA-N
XLogP3.04
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine
CID 133375460
2-(methoxymethyl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-4-nitroaniline
CID 133375365
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine
CID 133375267
4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile
CID 133375330
N-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 126837755
N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-nitroaniline
CID 133375415
6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide
CID 133375389
6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133375400
1,3-dimethyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-4-nitropyrazol-5-amine
CID 133375375
methyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate
CID 127266672
[4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol
CID 133434753
1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 86779695

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine (CID 133375431) is 2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine is COCc1nc(C)cc(NCc2ccccc2-n2ccc(C)n2)n1.
What is the InChIKey of 2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is YIAWYJSXINDSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-8-9-23(22-13)16-7-5-4-6-15(16)11-19-17-10-14(2)20-18(21-17)12-24-3/h4-10H,11-12H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine?
2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133375431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).