[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-hydroxyphenyl)methanone

C21H21N5O2 — CID 56908860

IUPAC[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-hydroxyphenyl)methanone
SMILESCN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1ccc(O)cc1)C2
InChIInChI=1S/C21H21N5O2/c1-25(2)20-17-9-12-26(21(28)15-3-5-16(27)6-4-15)13-18(17)23-19(24-20)14-7-10-22-11-8-14/h3-8,10-11,27H,9,12-13H2,1-2H3
InChIKeyLSUDCHHNINHJJK-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.51
Rot. Bonds3

About [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-hydroxyphenyl)methanone

[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-hydroxyphenyl)methanone (PubChem CID 56908860) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-hydroxyphenyl)methanone
PubChem CID56908860
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-hydroxyphenyl)methanone
SMILESCN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1ccc(O)cc1)C2
InChIInChI=1S/C21H21N5O2/c1-25(2)20-17-9-12-26(21(28)15-3-5-16(27)6-4-15)13-18(17)23-19(24-20)14-7-10-22-11-8-14/h3-8,10-11,27H,9,12-13H2,1-2H3
InChIKeyLSUDCHHNINHJJK-UHFFFAOYSA-N
XLogP2.51
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-hydroxyphenyl)methanone (CID 56908860) is [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-hydroxyphenyl)methanone is CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1ccc(O)cc1)C2.
What is the InChIKey of [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is LSUDCHHNINHJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-25(2)20-17-9-12-26(21(28)15-3-5-16(27)6-4-15)13-18(17)23-19(24-20)14-7-10-22-11-8-14/h3-8,10-11,27H,9,12-13H2,1-2H3.
What are the key properties of [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-hydroxyphenyl)methanone?
[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 375.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 56908860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).