5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine

C11H20N4 — CID 80831472

IUPAC5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1NCCCC(C)C
InChIInChI=1S/C11H20N4/c1-8(2)5-4-6-13-11-9(3)10(12)14-7-15-11/h7-8H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyRUQNIDIUUKAFJK-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.22
Rot. Bonds5

About 5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine

5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine (PubChem CID 80831472) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
PubChem CID80831472
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1NCCCC(C)C
InChIInChI=1S/C11H20N4/c1-8(2)5-4-6-13-11-9(3)10(12)14-7-15-11/h7-8H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyRUQNIDIUUKAFJK-UHFFFAOYSA-N
XLogP2.22
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831901
4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 80772369
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine
CID 80833143
6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
CID 115326240
5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80782943
methyl 3-[(6-amino-5-methylpyrimidin-4-yl)amino]propanoate
CID 80796856
1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80840720
3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 83180449
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148658
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 113430292
6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135694

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine (CID 80831472) is 5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine is Cc1c(N)ncnc1NCCCC(C)C.
What is the InChIKey of 5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine?
The InChIKey is RUQNIDIUUKAFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(2)5-4-6-13-11-9(3)10(12)14-7-15-11/h7-8H,4-6H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine?
5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80831472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).