2-N-(cyclohexylmethyl)-4-N-(2,2-diphenylethyl)-6-methylpyrimidine-2,4-diamine

C26H32N4 — CID 44532332

IUPAC2-N-(cyclohexylmethyl)-4-N-(2,2-diphenylethyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCC(c2ccccc2)c2ccccc2)nc(NCC2CCCCC2)n1
InChIInChI=1S/C26H32N4/c1-20-17-25(30-26(29-20)28-18-21-11-5-2-6-12-21)27-19-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h3-4,7-10,13-17,21,24H,2,5-6,11-12,18-19H2,1H3,(H2,27,28,29,30)
InChIKeyMZOPMCWBHRUXKD-UHFFFAOYSA-N
MW400.57 g/mol
LogP6.02
Rot. Bonds8

About 2-N-(cyclohexylmethyl)-4-N-(2,2-diphenylethyl)-6-methylpyrimidine-2,4-diamine

2-N-(cyclohexylmethyl)-4-N-(2,2-diphenylethyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 44532332) has the molecular formula C26H32N4 and a molecular weight of 400.57 g/mol. Its IUPAC name is 2-N-(cyclohexylmethyl)-4-N-(2,2-diphenylethyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclohexylmethyl)-4-N-(2,2-diphenylethyl)-6-methylpyrimidine-2,4-diamine
PubChem CID44532332
Molecular FormulaC26H32N4
Molecular Weight400.57 g/mol
Exact Mass400.26
IUPAC Name2-N-(cyclohexylmethyl)-4-N-(2,2-diphenylethyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCC(c2ccccc2)c2ccccc2)nc(NCC2CCCCC2)n1
InChIInChI=1S/C26H32N4/c1-20-17-25(30-26(29-20)28-18-21-11-5-2-6-12-21)27-19-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h3-4,7-10,13-17,21,24H,2,5-6,11-12,18-19H2,1H3,(H2,27,28,29,30)
InChIKeyMZOPMCWBHRUXKD-UHFFFAOYSA-N
XLogP6.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclohexylmethyl)-4-N-(2,2-diphenylethyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(cyclohexylmethyl)-4-N-(2,2-diphenylethyl)-6-methylpyrimidine-2,4-diamine (CID 44532332) is 2-N-(cyclohexylmethyl)-4-N-(2,2-diphenylethyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclohexylmethyl)-4-N-(2,2-diphenylethyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(cyclohexylmethyl)-4-N-(2,2-diphenylethyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(NCC(c2ccccc2)c2ccccc2)nc(NCC2CCCCC2)n1.
What is the InChIKey of 2-N-(cyclohexylmethyl)-4-N-(2,2-diphenylethyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is MZOPMCWBHRUXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4/c1-20-17-25(30-26(29-20)28-18-21-11-5-2-6-12-21)27-19-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h3-4,7-10,13-17,21,24H,2,5-6,11-12,18-19H2,1H3,(H2,27,28,29,30).
What are the key properties of 2-N-(cyclohexylmethyl)-4-N-(2,2-diphenylethyl)-6-methylpyrimidine-2,4-diamine?
2-N-(cyclohexylmethyl)-4-N-(2,2-diphenylethyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 400.57 g/mol, XLogP of 6.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclohexylmethyl)-4-N-(2,2-diphenylethyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 44532332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).