5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride

C13H20ClN5 — CID 44531624

IUPAC5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCCCCCc1cnc2nc(N)nc(N)c2c1C.Cl
InChIInChI=1S/C13H19N5.ClH/c1-3-4-5-6-9-7-16-12-10(8(9)2)11(14)17-13(15)18-12;/h7H,3-6H2,1-2H3,(H4,14,15,16,17,18);1H
InChIKeyZVWWRIKYTXNNFD-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.65
Rot. Bonds4

About 5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride

5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 44531624) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is 5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
PubChem CID44531624
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC Name5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCCCCCc1cnc2nc(N)nc(N)c2c1C.Cl
InChIInChI=1S/C13H19N5.ClH/c1-3-4-5-6-9-7-16-12-10(8(9)2)11(14)17-13(15)18-12;/h7H,3-6H2,1-2H3,(H4,14,15,16,17,18);1H
InChIKeyZVWWRIKYTXNNFD-UHFFFAOYSA-N
XLogP2.65
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride (CID 44531624) is 5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride is CCCCCc1cnc2nc(N)nc(N)c2c1C.Cl.
What is the InChIKey of 5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is ZVWWRIKYTXNNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5.ClH/c1-3-4-5-6-9-7-16-12-10(8(9)2)11(14)17-13(15)18-12;/h7H,3-6H2,1-2H3,(H4,14,15,16,17,18);1H.
What are the key properties of 5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44531624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).