2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine

C18H24N4 — CID 697226

IUPAC2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H24N4/c1-14-12-17(21-16-10-6-3-7-11-16)22-18(20-14)19-13-15-8-4-2-5-9-15/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H2,19,20,21,22)
InChIKeyGDKCAAWSNQLXNX-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.14
Rot. Bonds5

About 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine

2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine (PubChem CID 697226) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
PubChem CID697226
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H24N4/c1-14-12-17(21-16-10-6-3-7-11-16)22-18(20-14)19-13-15-8-4-2-5-9-15/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H2,19,20,21,22)
InChIKeyGDKCAAWSNQLXNX-UHFFFAOYSA-N
XLogP4.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 86367
CID 86367
CID 93114
CID 93114
CID 619024
CID 619024
CID 676352
CID 676352
CID 780643
CID 780643
CID 1804739
CID 1804739
CID 204104
CID 204104
CID 659917
CID 659917
CID 616573
CID 616573
CID 2949965
CID 2949965
CID 112445
CID 112445
CID 9814965
CID 9814965

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine (CID 697226) is 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine is Cc1cc(NC2CCCCC2)nc(NCc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is GDKCAAWSNQLXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-12-17(21-16-10-6-3-7-11-16)22-18(20-14)19-13-15-8-4-2-5-9-15/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 296.42 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 697226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).