1-[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one

C20H25N3O2 — CID 137299054

IUPAC1-[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one
SMILESCCc1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)C(C)(C)C)CC2
InChIInChI=1S/C20H25N3O2/c1-5-17-21-16-10-11-23(19(25)20(2,3)4)12-15(16)18(22-17)13-6-8-14(24)9-7-13/h6-9,24H,5,10-12H2,1-4H3
InChIKeyNXSSEWFKMMUQMQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.34
Rot. Bonds2

About 1-[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one

1-[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one (PubChem CID 137299054) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one
PubChem CID137299054
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one
SMILESCCc1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)C(C)(C)C)CC2
InChIInChI=1S/C20H25N3O2/c1-5-17-21-16-10-11-23(19(25)20(2,3)4)12-15(16)18(22-17)13-6-8-14(24)9-7-13/h6-9,24H,5,10-12H2,1-4H3
InChIKeyNXSSEWFKMMUQMQ-UHFFFAOYSA-N
XLogP3.34
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(4-Hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol
CID 789621
N-ethyl-N-[(4-hydroxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide
CID 90655959
4-[2-Methyl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7,8,9-tetrahydropyrimido[5,4-c]azepin-4-yl]phenol
CID 137299173
2-[4-Methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]phenol
CID 4262785
N-[4-[[4,6-bis(4-hydroxyphenyl)pyrimidin-2-yl]amino]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 141477313
4-[2-cyclopropyl-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
CID 137299083
4-[2-cyclopropyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
CID 137299084
4-[2-cyclopropyl-6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
CID 137299104
4-[2-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
CID 137299117
4-[6-[(3-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
CID 137299148
4-[2-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
CID 137299164
4-[2-Ethyl-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl]phenol
CID 137299198

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one (CID 137299054) is 1-[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one is CCc1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)C(C)(C)C)CC2.
What is the InChIKey of 1-[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one?
The InChIKey is NXSSEWFKMMUQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-17-21-16-10-11-23(19(25)20(2,3)4)12-15(16)18(22-17)13-6-8-14(24)9-7-13/h6-9,24H,5,10-12H2,1-4H3.
What are the key properties of 1-[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one?
1-[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 137299054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).