8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine

C17H25N5 — CID 167021876

IUPAC8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine
SMILESCCCC1CCC(Nc2ncc3c(N)ncc(C)c3n2)CC1
InChIInChI=1S/C17H25N5/c1-3-4-12-5-7-13(8-6-12)21-17-20-10-14-15(22-17)11(2)9-19-16(14)18/h9-10,12-13H,3-8H2,1-2H3,(H2,18,19)(H,20,21,22)
InChIKeyXMUBCBUZGYWPCV-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.69
Rot. Bonds4

About 8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine

8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine (PubChem CID 167021876) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine
PubChem CID167021876
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine
SMILESCCCC1CCC(Nc2ncc3c(N)ncc(C)c3n2)CC1
InChIInChI=1S/C17H25N5/c1-3-4-12-5-7-13(8-6-12)21-17-20-10-14-15(22-17)11(2)9-19-16(14)18/h9-10,12-13H,3-8H2,1-2H3,(H2,18,19)(H,20,21,22)
InChIKeyXMUBCBUZGYWPCV-UHFFFAOYSA-N
XLogP3.69
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The IUPAC name of 8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine (CID 167021876) is 8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine.
What is the SMILES notation for 8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The canonical SMILES for 8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine is CCCC1CCC(Nc2ncc3c(N)ncc(C)c3n2)CC1.
What is the InChIKey of 8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The InChIKey is XMUBCBUZGYWPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-3-4-12-5-7-13(8-6-12)21-17-20-10-14-15(22-17)11(2)9-19-16(14)18/h9-10,12-13H,3-8H2,1-2H3,(H2,18,19)(H,20,21,22).
What are the key properties of 8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine has a molecular weight of 299.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine is sourced from PubChem (CID 167021876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).