7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-[methyl(propan-2-yl)amino]pyrido[4,3-d]pyrimidin-4-one

C20H25N5O2 — CID 66959574

IUPAC7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-[methyl(propan-2-yl)amino]pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)N(C)c1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H25N5O2/c1-12(2)25(6)18-17-15(22-11-24(5)19(17)26)9-14(23-18)13-7-8-16(21-10-13)20(3,4)27/h7-12,27H,1-6H3
InChIKeyFMOONIZHTSWDMR-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.46
Rot. Bonds4

About 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-[methyl(propan-2-yl)amino]pyrido[4,3-d]pyrimidin-4-one

7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-[methyl(propan-2-yl)amino]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959574) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-[methyl(propan-2-yl)amino]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-[methyl(propan-2-yl)amino]pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959574
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-[methyl(propan-2-yl)amino]pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)N(C)c1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H25N5O2/c1-12(2)25(6)18-17-15(22-11-24(5)19(17)26)9-14(23-18)13-7-8-16(21-10-13)20(3,4)27/h7-12,27H,1-6H3
InChIKeyFMOONIZHTSWDMR-UHFFFAOYSA-N
XLogP2.46
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-[methyl(propan-2-yl)amino]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-[methyl(propan-2-yl)amino]pyrido[4,3-d]pyrimidin-4-one (CID 66959574) is 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-[methyl(propan-2-yl)amino]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-[methyl(propan-2-yl)amino]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-[methyl(propan-2-yl)amino]pyrido[4,3-d]pyrimidin-4-one is CC(C)N(C)c1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-[methyl(propan-2-yl)amino]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is FMOONIZHTSWDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-12(2)25(6)18-17-15(22-11-24(5)19(17)26)9-14(23-18)13-7-8-16(21-10-13)20(3,4)27/h7-12,27H,1-6H3.
What are the key properties of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-[methyl(propan-2-yl)amino]pyrido[4,3-d]pyrimidin-4-one?
7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-[methyl(propan-2-yl)amino]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 367.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-[methyl(propan-2-yl)amino]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).