5-heptyl-6-methylpyrimidine-2,4-diamine

C12H22N4 — CID 5260124

IUPAC5-heptyl-6-methylpyrimidine-2,4-diamine
SMILESCCCCCCCc1c(C)nc(N)nc1N
InChIInChI=1S/C12H22N4/c1-3-4-5-6-7-8-10-9(2)15-12(14)16-11(10)13/h3-8H2,1-2H3,(H4,13,14,15,16)
InChIKeyLCYHNZFYRQBXFR-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.46
Rot. Bonds6

About 5-heptyl-6-methylpyrimidine-2,4-diamine

5-heptyl-6-methylpyrimidine-2,4-diamine (PubChem CID 5260124) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 5-heptyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-heptyl-6-methylpyrimidine-2,4-diamine
PubChem CID5260124
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name5-heptyl-6-methylpyrimidine-2,4-diamine
SMILESCCCCCCCc1c(C)nc(N)nc1N
InChIInChI=1S/C12H22N4/c1-3-4-5-6-7-8-10-9(2)15-12(14)16-11(10)13/h3-8H2,1-2H3,(H4,13,14,15,16)
InChIKeyLCYHNZFYRQBXFR-UHFFFAOYSA-N
XLogP2.46
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.46
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

6,7-Dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine, 1a
CID 2796981
5,6,7,8-Tetrahydroquinazoline-2,4-diamine
CID 74696
6-Tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 484964
4-Methyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 4962065
6-isopropenyl-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 3245831
4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-6-methyl-5-pentylpyrimidine-2,4-diamine
CID 135271007
5-[3-(azepan-1-yl)propyl]-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 135271008
4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271012
4-N-butyl-5-[3-(diethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271022
4-N-butyl-6-methyl-5-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271028
4-N-butyl-6-methyl-5-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271038

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-heptyl-6-methylpyrimidine-2,4-diamine (CID 5260124) is 5-heptyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-heptyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-heptyl-6-methylpyrimidine-2,4-diamine is CCCCCCCc1c(C)nc(N)nc1N.
What is the InChIKey of 5-heptyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is LCYHNZFYRQBXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-4-5-6-7-8-10-9(2)15-12(14)16-11(10)13/h3-8H2,1-2H3,(H4,13,14,15,16).
What are the key properties of 5-heptyl-6-methylpyrimidine-2,4-diamine?
5-heptyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 5260124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).