4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine

C20H28N4 — CID 112933540

IUPAC4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine
SMILESCCCCNc1cc(-c2ccccc2)nc(NC2CCCCC2)n1
InChIInChI=1S/C20H28N4/c1-2-3-14-21-19-15-18(16-10-6-4-7-11-16)23-20(24-19)22-17-12-8-5-9-13-17/h4,6-7,10-11,15,17H,2-3,5,8-9,12-14H2,1H3,(H2,21,22,23,24)
InChIKeyDDVDCJUKMOCUET-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.10
Rot. Bonds7

About 4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine

4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 112933540) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine
PubChem CID112933540
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine
SMILESCCCCNc1cc(-c2ccccc2)nc(NC2CCCCC2)n1
InChIInChI=1S/C20H28N4/c1-2-3-14-21-19-15-18(16-10-6-4-7-11-16)23-20(24-19)22-17-12-8-5-9-13-17/h4,6-7,10-11,15,17H,2-3,5,8-9,12-14H2,1H3,(H2,21,22,23,24)
InChIKeyDDVDCJUKMOCUET-UHFFFAOYSA-N
XLogP5.10
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine
CID 112933581
2-N-cyclopentyl-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112934432
6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112867907
4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937172
5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112939878
2-N-cyclohexyl-4-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934694
4-N-cyclopropyl-2-N-[3-(dimethylamino)propyl]-6-phenylpyrimidine-2,4-diamine
CID 112932935
2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112934451
4-N-butyl-2-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112933559
4-N-cyclopentyl-2-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934370
2-N-cyclopentyl-4-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934436
2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112933130

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine (CID 112933540) is 4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine is CCCCNc1cc(-c2ccccc2)nc(NC2CCCCC2)n1.
What is the InChIKey of 4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is DDVDCJUKMOCUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-2-3-14-21-19-15-18(16-10-6-4-7-11-16)23-20(24-19)22-17-12-8-5-9-13-17/h4,6-7,10-11,15,17H,2-3,5,8-9,12-14H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine?
4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 324.47 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112933540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).