4-N-heptan-2-ylpyrimidine-2,4-diamine

C11H20N4 — CID 80803742

IUPAC4-N-heptan-2-ylpyrimidine-2,4-diamine
SMILESCCCCCC(C)Nc1ccnc(N)n1
InChIInChI=1S/C11H20N4/c1-3-4-5-6-9(2)14-10-7-8-13-11(12)15-10/h7-9H,3-6H2,1-2H3,(H3,12,13,14,15)
InChIKeyJVIWBRONKPMDLE-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.44
Rot. Bonds6

About 4-N-heptan-2-ylpyrimidine-2,4-diamine

4-N-heptan-2-ylpyrimidine-2,4-diamine (PubChem CID 80803742) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-N-heptan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-heptan-2-ylpyrimidine-2,4-diamine
PubChem CID80803742
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-N-heptan-2-ylpyrimidine-2,4-diamine
SMILESCCCCCC(C)Nc1ccnc(N)n1
InChIInChI=1S/C11H20N4/c1-3-4-5-6-9(2)14-10-7-8-13-11(12)15-10/h7-9H,3-6H2,1-2H3,(H3,12,13,14,15)
InChIKeyJVIWBRONKPMDLE-UHFFFAOYSA-N
XLogP2.44
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.44
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

4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
CID 80846918
6-N-octan-2-ylpyridine-2,6-diamine
CID 80648074
2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine
CID 63402628
6-chloro-4-N-octan-2-ylpyrimidine-2,4-diamine
CID 78971534
4-N-decylpyrimidine-2,4-diamine
CID 56985914
4-N-octylpyrimidine-2,4-diamine
CID 18766008
6-fluoro-N-heptan-2-ylpyridin-2-amine
CID 61466659
4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine
CID 80907899
2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 63402670
6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
CID 80803403
6-N-heptan-2-yl-3-nitropyridine-2,6-diamine
CID 79825693
4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine
CID 104830588

Frequently Asked Questions

What is the IUPAC name of 4-N-heptan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-heptan-2-ylpyrimidine-2,4-diamine (CID 80803742) is 4-N-heptan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-heptan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-heptan-2-ylpyrimidine-2,4-diamine is CCCCCC(C)Nc1ccnc(N)n1.
What is the InChIKey of 4-N-heptan-2-ylpyrimidine-2,4-diamine?
The InChIKey is JVIWBRONKPMDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-4-5-6-9(2)14-10-7-8-13-11(12)15-10/h7-9H,3-6H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 4-N-heptan-2-ylpyrimidine-2,4-diamine?
4-N-heptan-2-ylpyrimidine-2,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-heptan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80803742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).