2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine

C16H24N6 — CID 176671186

IUPAC2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCCN1CCC(Nc2nc(NC)c3c(C)cc(C)nc3n2)C1
InChIInChI=1S/C16H24N6/c1-5-22-7-6-12(9-22)19-16-20-14(17-4)13-10(2)8-11(3)18-15(13)21-16/h8,12H,5-7,9H2,1-4H3,(H2,17,18,19,20,21)
InChIKeyVBEQASWMOFVCOJ-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.19
Rot. Bonds4

About 2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine

2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 176671186) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID176671186
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCCN1CCC(Nc2nc(NC)c3c(C)cc(C)nc3n2)C1
InChIInChI=1S/C16H24N6/c1-5-22-7-6-12(9-22)19-16-20-14(17-4)13-10(2)8-11(3)18-15(13)21-16/h8,12H,5-7,9H2,1-4H3,(H2,17,18,19,20,21)
InChIKeyVBEQASWMOFVCOJ-UHFFFAOYSA-N
XLogP2.19
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 176671186) is 2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine is CCN1CCC(Nc2nc(NC)c3c(C)cc(C)nc3n2)C1.
What is the InChIKey of 2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is VBEQASWMOFVCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-5-22-7-6-12(9-22)19-16-20-14(17-4)13-10(2)8-11(3)18-15(13)21-16/h8,12H,5-7,9H2,1-4H3,(H2,17,18,19,20,21).
What are the key properties of 2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 300.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 176671186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).