6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C19H22N6O — CID 24913218

IUPAC6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1ccc(-n2ncc(CN3CCc4nc(N)ncc4C3)c2C)cc1
InChIInChI=1S/C19H22N6O/c1-13-14(10-22-25(13)16-3-5-17(26-2)6-4-16)11-24-8-7-18-15(12-24)9-21-19(20)23-18/h3-6,9-10H,7-8,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyXVSOIDZLVBODNJ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.12
Rot. Bonds4

About 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 24913218) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID24913218
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1ccc(-n2ncc(CN3CCc4nc(N)ncc4C3)c2C)cc1
InChIInChI=1S/C19H22N6O/c1-13-14(10-22-25(13)16-3-5-17(26-2)6-4-16)11-24-8-7-18-15(12-24)9-21-19(20)23-18/h3-6,9-10H,7-8,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyXVSOIDZLVBODNJ-UHFFFAOYSA-N
XLogP2.12
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913215
6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24912861
6-[(2-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913806
6-[(2,4,6-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24928488
6-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24915108
2-cyclohexyl-6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944695
6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24917459
6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24909732
6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24911370
6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24929895
6-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46346060
3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-chlorophenol
CID 24929118

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 24913218) is 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is COc1ccc(-n2ncc(CN3CCc4nc(N)ncc4C3)c2C)cc1.
What is the InChIKey of 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is XVSOIDZLVBODNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-14(10-22-25(13)16-3-5-17(26-2)6-4-16)11-24-8-7-18-15(12-24)9-21-19(20)23-18/h3-6,9-10H,7-8,11-12H2,1-2H3,(H2,20,21,23).
What are the key properties of 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 350.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 24913218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).