2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine

C16H22N4 — CID 112876247

IUPAC2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCCCCCNc1cc(Nc2ccccc2)nc(C)n1
InChIInChI=1S/C16H22N4/c1-3-4-8-11-17-15-12-16(19-13(2)18-15)20-14-9-6-5-7-10-14/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H2,17,18,19,20)
InChIKeyXBLRMAYADUPOQF-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.13
Rot. Bonds7

About 2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine

2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112876247) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112876247
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCCCCCNc1cc(Nc2ccccc2)nc(C)n1
InChIInChI=1S/C16H22N4/c1-3-4-8-11-17-15-12-16(19-13(2)18-15)20-14-9-6-5-7-10-14/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H2,17,18,19,20)
InChIKeyXBLRMAYADUPOQF-UHFFFAOYSA-N
XLogP4.13
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.13
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-butyl-4-N-(4-tert-butylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867942
1-[4-[[2-methyl-6-(pentylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112876296
6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112867947
6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
CID 112925484
6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112869526
2-methyl-6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112876263
2-[[2-methyl-6-(pentylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112876333
6-N-butyl-4-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868007
4-N-(3-chlorophenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875777
6-hydrazinyl-2-methyl-N-pentylpyrimidin-4-amine
CID 80932312
6-N-butyl-2-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112867983
4-N-(4-methoxyphenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875784

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine (CID 112876247) is 2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine is CCCCCNc1cc(Nc2ccccc2)nc(C)n1.
What is the InChIKey of 2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is XBLRMAYADUPOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-4-8-11-17-15-12-16(19-13(2)18-15)20-14-9-6-5-7-10-14/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine?
2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112876247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).