6-methyl-5-(pentylideneamino)-1,2-dihydropyrimidine-2,4-diamine

C10H19N5 — CID 138630796

IUPAC6-methyl-5-(pentylideneamino)-1,2-dihydropyrimidine-2,4-diamine
SMILESCCCC/C=N/C1=C(C)NC(N)N=C1N
InChIInChI=1S/C10H19N5/c1-3-4-5-6-13-8-7(2)14-10(12)15-9(8)11/h6,10,14H,3-5,12H2,1-2H3,(H2,11,15)/b13-6+
InChIKeyNEMMMVWHDJIJNO-AWNIVKPZSA-N
MW209.30 g/mol
LogP0.68
Rot. Bonds4

About 6-methyl-5-(pentylideneamino)-1,2-dihydropyrimidine-2,4-diamine

6-methyl-5-(pentylideneamino)-1,2-dihydropyrimidine-2,4-diamine (PubChem CID 138630796) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 6-methyl-5-(pentylideneamino)-1,2-dihydropyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-5-(pentylideneamino)-1,2-dihydropyrimidine-2,4-diamine
PubChem CID138630796
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name6-methyl-5-(pentylideneamino)-1,2-dihydropyrimidine-2,4-diamine
SMILESCCCC/C=N/C1=C(C)NC(N)N=C1N
InChIInChI=1S/C10H19N5/c1-3-4-5-6-13-8-7(2)14-10(12)15-9(8)11/h6,10,14H,3-5,12H2,1-2H3,(H2,11,15)/b13-6+
InChIKeyNEMMMVWHDJIJNO-AWNIVKPZSA-N
XLogP0.68
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(pentylideneamino)-1,2-dihydropyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-5-(pentylideneamino)-1,2-dihydropyrimidine-2,4-diamine (CID 138630796) is 6-methyl-5-(pentylideneamino)-1,2-dihydropyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-5-(pentylideneamino)-1,2-dihydropyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-5-(pentylideneamino)-1,2-dihydropyrimidine-2,4-diamine is CCCC/C=N/C1=C(C)NC(N)N=C1N.
What is the InChIKey of 6-methyl-5-(pentylideneamino)-1,2-dihydropyrimidine-2,4-diamine?
The InChIKey is NEMMMVWHDJIJNO-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H19N5/c1-3-4-5-6-13-8-7(2)14-10(12)15-9(8)11/h6,10,14H,3-5,12H2,1-2H3,(H2,11,15)/b13-6+.
What are the key properties of 6-methyl-5-(pentylideneamino)-1,2-dihydropyrimidine-2,4-diamine?
6-methyl-5-(pentylideneamino)-1,2-dihydropyrimidine-2,4-diamine has a molecular weight of 209.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(pentylideneamino)-1,2-dihydropyrimidine-2,4-diamine is sourced from PubChem (CID 138630796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).