1-benzyl-N-propan-2-yl-2H-pyrido[2,3-d]pyrimidin-5-amine

C17H20N4 — CID 140968300

IUPAC1-benzyl-N-propan-2-yl-2H-pyrido[2,3-d]pyrimidin-5-amine
SMILESCC(C)Nc1ccnc2c1C=NCN2Cc1ccccc1
InChIInChI=1S/C17H20N4/c1-13(2)20-16-8-9-19-17-15(16)10-18-12-21(17)11-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,19,20)
InChIKeyCKXJJFXLEPPEGC-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.30
Rot. Bonds4

About 1-benzyl-N-propan-2-yl-2H-pyrido[2,3-d]pyrimidin-5-amine

1-benzyl-N-propan-2-yl-2H-pyrido[2,3-d]pyrimidin-5-amine (PubChem CID 140968300) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-benzyl-N-propan-2-yl-2H-pyrido[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name1-benzyl-N-propan-2-yl-2H-pyrido[2,3-d]pyrimidin-5-amine
PubChem CID140968300
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-benzyl-N-propan-2-yl-2H-pyrido[2,3-d]pyrimidin-5-amine
SMILESCC(C)Nc1ccnc2c1C=NCN2Cc1ccccc1
InChIInChI=1S/C17H20N4/c1-13(2)20-16-8-9-19-17-15(16)10-18-12-21(17)11-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,19,20)
InChIKeyCKXJJFXLEPPEGC-UHFFFAOYSA-N
XLogP3.30
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-propan-2-yl-2H-pyrido[2,3-d]pyrimidin-5-amine?
The IUPAC name of 1-benzyl-N-propan-2-yl-2H-pyrido[2,3-d]pyrimidin-5-amine (CID 140968300) is 1-benzyl-N-propan-2-yl-2H-pyrido[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for 1-benzyl-N-propan-2-yl-2H-pyrido[2,3-d]pyrimidin-5-amine?
The canonical SMILES for 1-benzyl-N-propan-2-yl-2H-pyrido[2,3-d]pyrimidin-5-amine is CC(C)Nc1ccnc2c1C=NCN2Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-propan-2-yl-2H-pyrido[2,3-d]pyrimidin-5-amine?
The InChIKey is CKXJJFXLEPPEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-13(2)20-16-8-9-19-17-15(16)10-18-12-21(17)11-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 1-benzyl-N-propan-2-yl-2H-pyrido[2,3-d]pyrimidin-5-amine?
1-benzyl-N-propan-2-yl-2H-pyrido[2,3-d]pyrimidin-5-amine has a molecular weight of 280.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-propan-2-yl-2H-pyrido[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 140968300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).