6-N-(3-aminopropyl)-4-(2,3-dimethylphenyl)-1,4-dihydropyrimidine-2,6-diamine

C15H23N5 — CID 118567888

IUPAC6-N-(3-aminopropyl)-4-(2,3-dimethylphenyl)-1,4-dihydropyrimidine-2,6-diamine
SMILESCc1cccc(C2C=C(NCCCN)NC(N)=N2)c1C
InChIInChI=1S/C15H23N5/c1-10-5-3-6-12(11(10)2)13-9-14(18-8-4-7-16)20-15(17)19-13/h3,5-6,9,13,18H,4,7-8,16H2,1-2H3,(H3,17,19,20)
InChIKeyOYYVGHGRUNQCTD-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.04
Rot. Bonds5

About 6-N-(3-aminopropyl)-4-(2,3-dimethylphenyl)-1,4-dihydropyrimidine-2,6-diamine

6-N-(3-aminopropyl)-4-(2,3-dimethylphenyl)-1,4-dihydropyrimidine-2,6-diamine (PubChem CID 118567888) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-N-(3-aminopropyl)-4-(2,3-dimethylphenyl)-1,4-dihydropyrimidine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-aminopropyl)-4-(2,3-dimethylphenyl)-1,4-dihydropyrimidine-2,6-diamine
PubChem CID118567888
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name6-N-(3-aminopropyl)-4-(2,3-dimethylphenyl)-1,4-dihydropyrimidine-2,6-diamine
SMILESCc1cccc(C2C=C(NCCCN)NC(N)=N2)c1C
InChIInChI=1S/C15H23N5/c1-10-5-3-6-12(11(10)2)13-9-14(18-8-4-7-16)20-15(17)19-13/h3,5-6,9,13,18H,4,7-8,16H2,1-2H3,(H3,17,19,20)
InChIKeyOYYVGHGRUNQCTD-UHFFFAOYSA-N
XLogP1.04
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.04
H-Bond Donors ≤ 54
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 6-N-(3-aminopropyl)-4-(2,3-dimethylphenyl)-1,4-dihydropyrimidine-2,6-diamine?
The IUPAC name of 6-N-(3-aminopropyl)-4-(2,3-dimethylphenyl)-1,4-dihydropyrimidine-2,6-diamine (CID 118567888) is 6-N-(3-aminopropyl)-4-(2,3-dimethylphenyl)-1,4-dihydropyrimidine-2,6-diamine.
What is the SMILES notation for 6-N-(3-aminopropyl)-4-(2,3-dimethylphenyl)-1,4-dihydropyrimidine-2,6-diamine?
The canonical SMILES for 6-N-(3-aminopropyl)-4-(2,3-dimethylphenyl)-1,4-dihydropyrimidine-2,6-diamine is Cc1cccc(C2C=C(NCCCN)NC(N)=N2)c1C.
What is the InChIKey of 6-N-(3-aminopropyl)-4-(2,3-dimethylphenyl)-1,4-dihydropyrimidine-2,6-diamine?
The InChIKey is OYYVGHGRUNQCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-10-5-3-6-12(11(10)2)13-9-14(18-8-4-7-16)20-15(17)19-13/h3,5-6,9,13,18H,4,7-8,16H2,1-2H3,(H3,17,19,20).
What are the key properties of 6-N-(3-aminopropyl)-4-(2,3-dimethylphenyl)-1,4-dihydropyrimidine-2,6-diamine?
6-N-(3-aminopropyl)-4-(2,3-dimethylphenyl)-1,4-dihydropyrimidine-2,6-diamine has a molecular weight of 273.38 g/mol, XLogP of 1.04, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-aminopropyl)-4-(2,3-dimethylphenyl)-1,4-dihydropyrimidine-2,6-diamine is sourced from PubChem (CID 118567888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).