2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine

C22H21N5 — CID 166625980

IUPAC2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1ccccc1-c1nc(NCc2ccccn2)c2cccnc2n1
InChIInChI=1S/C22H21N5/c1-15(2)17-9-3-4-10-18(17)22-26-20-19(11-7-13-24-20)21(27-22)25-14-16-8-5-6-12-23-16/h3-13,15H,14H2,1-2H3,(H,24,25,26,27)
InChIKeyKWPSINQLKKYKID-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.82
Rot. Bonds5

About 2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine

2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 166625980) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID166625980
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1ccccc1-c1nc(NCc2ccccn2)c2cccnc2n1
InChIInChI=1S/C22H21N5/c1-15(2)17-9-3-4-10-18(17)22-26-20-19(11-7-13-24-20)21(27-22)25-14-16-8-5-6-12-23-16/h3-13,15H,14H2,1-2H3,(H,24,25,26,27)
InChIKeyKWPSINQLKKYKID-UHFFFAOYSA-N
XLogP4.82
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine (CID 166625980) is 2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine is CC(C)c1ccccc1-c1nc(NCc2ccccn2)c2cccnc2n1.
What is the InChIKey of 2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is KWPSINQLKKYKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-15(2)17-9-3-4-10-18(17)22-26-20-19(11-7-13-24-20)21(27-22)25-14-16-8-5-6-12-23-16/h3-13,15H,14H2,1-2H3,(H,24,25,26,27).
What are the key properties of 2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine?
2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 355.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166625980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).