7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C19H18N6O2S — CID 87215102

IUPAC7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(Nc3nccs3)c2c1=O
InChIInChI=1S/C19H18N6O2S/c1-19(2,27)14-5-4-11(9-21-14)12-8-13-15(17(26)25(3)10-22-13)16(23-12)24-18-20-6-7-28-18/h4-10,27H,1-3H3,(H,20,23,24)
InChIKeyBYEKTHRSBSZZDD-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.82
Rot. Bonds4

About 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 87215102) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID87215102
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Name7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(Nc3nccs3)c2c1=O
InChIInChI=1S/C19H18N6O2S/c1-19(2,27)14-5-4-11(9-21-14)12-8-13-15(17(26)25(3)10-22-13)16(23-12)24-18-20-6-7-28-18/h4-10,27H,1-3H3,(H,20,23,24)
InChIKeyBYEKTHRSBSZZDD-UHFFFAOYSA-N
XLogP2.82
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 87215102) is 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(Nc3nccs3)c2c1=O.
What is the InChIKey of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BYEKTHRSBSZZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-19(2,27)14-5-4-11(9-21-14)12-8-13-15(17(26)25(3)10-22-13)16(23-12)24-18-20-6-7-28-18/h4-10,27H,1-3H3,(H,20,23,24).
What are the key properties of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 394.46 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 87215102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).