4-N,6-N-dihexylpyrimidine-4,6-diamine

C16H30N4 — CID 2747970

IUPAC4-N,6-N-dihexylpyrimidine-4,6-diamine
SMILESCCCCCCNc1cc(NCCCCCC)ncn1
InChIInChI=1S/C16H30N4/c1-3-5-7-9-11-17-15-13-16(20-14-19-15)18-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3,(H2,17,18,19,20)
InChIKeyXPANREGFWLXBCT-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.46
Rot. Bonds12

About 4-N,6-N-dihexylpyrimidine-4,6-diamine

4-N,6-N-dihexylpyrimidine-4,6-diamine (PubChem CID 2747970) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-N,6-N-dihexylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dihexylpyrimidine-4,6-diamine
PubChem CID2747970
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-N,6-N-dihexylpyrimidine-4,6-diamine
SMILESCCCCCCNc1cc(NCCCCCC)ncn1
InChIInChI=1S/C16H30N4/c1-3-5-7-9-11-17-15-13-16(20-14-19-15)18-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3,(H2,17,18,19,20)
InChIKeyXPANREGFWLXBCT-UHFFFAOYSA-N
XLogP4.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.46
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

N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864104
4-N-(2,3-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864108
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine
CID 112862363
6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112864112
6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine
CID 112857956
6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112855172
4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864137
6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074
6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112855174
4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864177
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dihexylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dihexylpyrimidine-4,6-diamine (CID 2747970) is 4-N,6-N-dihexylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dihexylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dihexylpyrimidine-4,6-diamine is CCCCCCNc1cc(NCCCCCC)ncn1.
What is the InChIKey of 4-N,6-N-dihexylpyrimidine-4,6-diamine?
The InChIKey is XPANREGFWLXBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-3-5-7-9-11-17-15-13-16(20-14-19-15)18-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N,6-N-dihexylpyrimidine-4,6-diamine?
4-N,6-N-dihexylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 4.46, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dihexylpyrimidine-4,6-diamine is sourced from PubChem (CID 2747970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).