8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one;hydrochloride

C19H21ClN4O3 — CID 162321776

IUPAC8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one;hydrochloride
SMILESCl.Cn1c(=O)c(Oc2ccccc2)cc2cnc(NC3CCOCC3)nc21
InChIInChI=1S/C19H20N4O3.ClH/c1-23-17-13(11-16(18(23)24)26-15-5-3-2-4-6-15)12-20-19(22-17)21-14-7-9-25-10-8-14;/h2-6,11-12,14H,7-10H2,1H3,(H,20,21,22);1H
InChIKeyRYQHEBCPKBMKEL-UHFFFAOYSA-N
MW388.86 g/mol
LogP3.13
Rot. Bonds4

About 8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one;hydrochloride

8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one;hydrochloride (PubChem CID 162321776) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one;hydrochloride.

Molecular Properties

Compound Name8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one;hydrochloride
PubChem CID162321776
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one;hydrochloride
SMILESCl.Cn1c(=O)c(Oc2ccccc2)cc2cnc(NC3CCOCC3)nc21
InChIInChI=1S/C19H20N4O3.ClH/c1-23-17-13(11-16(18(23)24)26-15-5-3-2-4-6-15)12-20-19(22-17)21-14-7-9-25-10-8-14;/h2-6,11-12,14H,7-10H2,1H3,(H,20,21,22);1H
InChIKeyRYQHEBCPKBMKEL-UHFFFAOYSA-N
XLogP3.13
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The IUPAC name of 8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one;hydrochloride (CID 162321776) is 8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one;hydrochloride.
What is the SMILES notation for 8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The canonical SMILES for 8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one;hydrochloride is Cl.Cn1c(=O)c(Oc2ccccc2)cc2cnc(NC3CCOCC3)nc21.
What is the InChIKey of 8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The InChIKey is RYQHEBCPKBMKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3.ClH/c1-23-17-13(11-16(18(23)24)26-15-5-3-2-4-6-15)12-20-19(22-17)21-14-7-9-25-10-8-14;/h2-6,11-12,14H,7-10H2,1H3,(H,20,21,22);1H.
What are the key properties of 8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one;hydrochloride?
8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one;hydrochloride has a molecular weight of 388.86 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 162321776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).