7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine

C23H22ClN5O — CID 10070729

IUPAC7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCOCc1nc(Nc2ccc(C(C)C)cc2)c2ncc(-c3ncccc3Cl)cc2n1
InChIInChI=1S/C23H22ClN5O/c1-14(2)15-6-8-17(9-7-15)27-23-22-19(28-20(29-23)13-30-3)11-16(12-26-22)21-18(24)5-4-10-25-21/h4-12,14H,13H2,1-3H3,(H,27,28,29)
InChIKeyRXUUVIFTGQLYPU-UHFFFAOYSA-N
MW419.92 g/mol
LogP5.75
Rot. Bonds6

About 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 10070729) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID10070729
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC Name7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCOCc1nc(Nc2ccc(C(C)C)cc2)c2ncc(-c3ncccc3Cl)cc2n1
InChIInChI=1S/C23H22ClN5O/c1-14(2)15-6-8-17(9-7-15)27-23-22-19(28-20(29-23)13-30-3)11-16(12-26-22)21-18(24)5-4-10-25-21/h4-12,14H,13H2,1-3H3,(H,27,28,29)
InChIKeyRXUUVIFTGQLYPU-UHFFFAOYSA-N
XLogP5.75
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.92
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine (CID 10070729) is 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine is COCc1nc(Nc2ccc(C(C)C)cc2)c2ncc(-c3ncccc3Cl)cc2n1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is RXUUVIFTGQLYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c1-14(2)15-6-8-17(9-7-15)27-23-22-19(28-20(29-23)13-30-3)11-16(12-26-22)21-18(24)5-4-10-25-21/h4-12,14H,13H2,1-3H3,(H,27,28,29).
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 419.92 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10070729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).