4-(4-hydroxyphenyl)-N,N-dimethyl-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C19H24N4O2 — CID 137299181

IUPAC4-(4-hydroxyphenyl)-N,N-dimethyl-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCC(C)c1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)N(C)C)CC2
InChIInChI=1S/C19H24N4O2/c1-12(2)18-20-16-9-10-23(19(25)22(3)4)11-15(16)17(21-18)13-5-7-14(24)8-6-13/h5-8,12,24H,9-11H2,1-4H3
InChIKeyFYIAGRPJMQYCRD-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.01
Rot. Bonds2

About 4-(4-hydroxyphenyl)-N,N-dimethyl-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

4-(4-hydroxyphenyl)-N,N-dimethyl-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 137299181) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-N,N-dimethyl-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-N,N-dimethyl-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID137299181
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-(4-hydroxyphenyl)-N,N-dimethyl-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCC(C)c1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)N(C)C)CC2
InChIInChI=1S/C19H24N4O2/c1-12(2)18-20-16-9-10-23(19(25)22(3)4)11-15(16)17(21-18)13-5-7-14(24)8-6-13/h5-8,12,24H,9-11H2,1-4H3
InChIKeyFYIAGRPJMQYCRD-UHFFFAOYSA-N
XLogP3.01
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-N,N-dimethyl-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(4-hydroxyphenyl)-N,N-dimethyl-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 137299181) is 4-(4-hydroxyphenyl)-N,N-dimethyl-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)-N,N-dimethyl-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(4-hydroxyphenyl)-N,N-dimethyl-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CC(C)c1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)N(C)C)CC2.
What is the InChIKey of 4-(4-hydroxyphenyl)-N,N-dimethyl-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is FYIAGRPJMQYCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12(2)18-20-16-9-10-23(19(25)22(3)4)11-15(16)17(21-18)13-5-7-14(24)8-6-13/h5-8,12,24H,9-11H2,1-4H3.
What are the key properties of 4-(4-hydroxyphenyl)-N,N-dimethyl-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
4-(4-hydroxyphenyl)-N,N-dimethyl-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-N,N-dimethyl-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 137299181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).