2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one

C21H24ClN5O3 — CID 58278633

IUPAC2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one
SMILESCOc1c(C)cnc(Cn2cc(C3CCOCC3)c(=O)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C21H24ClN5O3/c1-11-8-24-15(12(2)18(11)29-3)10-27-9-14(13-4-6-30-7-5-13)17(28)16-19(22)25-21(23)26-20(16)27/h8-9,13H,4-7,10H2,1-3H3,(H2,23,25,26)
InChIKeyIOZZWPCZTWCXFJ-UHFFFAOYSA-N
MW429.91 g/mol
LogP2.99
Rot. Bonds4

About 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one

2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one (PubChem CID 58278633) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one
PubChem CID58278633
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC Name2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one
SMILESCOc1c(C)cnc(Cn2cc(C3CCOCC3)c(=O)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C21H24ClN5O3/c1-11-8-24-15(12(2)18(11)29-3)10-27-9-14(13-4-6-30-7-5-13)17(28)16-19(22)25-21(23)26-20(16)27/h8-9,13H,4-7,10H2,1-3H3,(H2,23,25,26)
InChIKeyIOZZWPCZTWCXFJ-UHFFFAOYSA-N
XLogP2.99
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one (CID 58278633) is 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one is COc1c(C)cnc(Cn2cc(C3CCOCC3)c(=O)c3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is IOZZWPCZTWCXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3/c1-11-8-24-15(12(2)18(11)29-3)10-27-9-14(13-4-6-30-7-5-13)17(28)16-19(22)25-21(23)26-20(16)27/h8-9,13H,4-7,10H2,1-3H3,(H2,23,25,26).
What are the key properties of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one?
2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 429.91 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 58278633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).