4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine

C13H24N4 — CID 80803176

IUPAC4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCCCCCC(C)Nc1nc(NC)ncc1C
InChIInChI=1S/C13H24N4/c1-5-6-7-8-11(3)16-12-10(2)9-15-13(14-4)17-12/h9,11H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyBDAUBHSFUIPSOI-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.21
Rot. Bonds7

About 4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine

4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 80803176) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID80803176
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCCCCCC(C)Nc1nc(NC)ncc1C
InChIInChI=1S/C13H24N4/c1-5-6-7-8-11(3)16-12-10(2)9-15-13(14-4)17-12/h9,11H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyBDAUBHSFUIPSOI-UHFFFAOYSA-N
XLogP3.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.21
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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Launch Full Analysis

Related Compounds

5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine
CID 80822744
2-chloro-5-methyl-N-octan-2-ylpyrimidin-4-amine
CID 79076093
2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
CID 80847650
4-N-hexan-3-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80817968
4-N-(1-methoxypropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80785415
4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80835831
4-N-decyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80854389
4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80839809
5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770323
2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80753695
3,6-dimethyl-N-octan-2-ylpyrazin-2-amine
CID 65417975
6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine
CID 80800865

Frequently Asked Questions

What is the IUPAC name of 4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine (CID 80803176) is 4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine is CCCCCC(C)Nc1nc(NC)ncc1C.
What is the InChIKey of 4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is BDAUBHSFUIPSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-6-7-8-11(3)16-12-10(2)9-15-13(14-4)17-12/h9,11H,5-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine?
4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80803176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).