6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine

C9H17N5 — CID 163970964

IUPAC6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine
SMILESC=C(C)CNC1=C(C)NC(N)=NC1N
InChIInChI=1S/C9H17N5/c1-5(2)4-12-7-6(3)13-9(11)14-8(7)10/h8,12H,1,4,10H2,2-3H3,(H3,11,13,14)
InChIKeySPYISTVPKFLHOU-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.41
Rot. Bonds3

About 6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine

6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine (PubChem CID 163970964) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine
PubChem CID163970964
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine
SMILESC=C(C)CNC1=C(C)NC(N)=NC1N
InChIInChI=1S/C9H17N5/c1-5(2)4-12-7-6(3)13-9(11)14-8(7)10/h8,12H,1,4,10H2,2-3H3,(H3,11,13,14)
InChIKeySPYISTVPKFLHOU-UHFFFAOYSA-N
XLogP-0.41
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-[(Z)-3-methyl-4-(4-methylpiperazin-1-yl)but-2-en-2-yl]methanimidamide
CID 155581956
N-(3-methylbut-2-enyl)-4,7-dihydro-3H-purin-6-amine
CID 176527107
1-(2-Aminoethyl)-2-(3-methylbut-2-enyl)guanidine
CID 24879370
1-[2-(Diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111022727
1-[2-[Di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111026325
1-[4-(4-Methylpiperazin-1-yl)butyl]-2-(2-methylprop-2-enyl)guanidine
CID 111060209
1-[4-(4-Ethylpiperazin-1-yl)butyl]-2-(2-methylprop-2-enyl)guanidine
CID 111060409
1-[2-[Butan-2-yl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111096369
1-[2-[Butan-2-yl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111096370
1-[2-[Cyclopropyl(ethyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111096537
1-[2-[Methyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111096615
1-[2-[Cyclopropyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111099196

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine?
The IUPAC name of 6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine (CID 163970964) is 6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine.
What is the SMILES notation for 6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine?
The canonical SMILES for 6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine is C=C(C)CNC1=C(C)NC(N)=NC1N.
What is the InChIKey of 6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine?
The InChIKey is SPYISTVPKFLHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-5(2)4-12-7-6(3)13-9(11)14-8(7)10/h8,12H,1,4,10H2,2-3H3,(H3,11,13,14).
What are the key properties of 6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine?
6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine has a molecular weight of 195.27 g/mol, XLogP of -0.41, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine is sourced from PubChem (CID 163970964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).