2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine

C22H24N4O — CID 150345252

IUPAC2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine
SMILESNc1nc(C2CCCCC2)nc(N)c1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H24N4O/c23-20-19(21(24)26-22(25-20)16-7-3-1-4-8-16)15-11-13-18(14-12-15)27-17-9-5-2-6-10-17/h2,5-6,9-14,16H,1,3-4,7-8H2,(H4,23,24,25,26)
InChIKeyGSOGZBMNDZZDPN-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.15
Rot. Bonds4

About 2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine

2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 150345252) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine
PubChem CID150345252
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine
SMILESNc1nc(C2CCCCC2)nc(N)c1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H24N4O/c23-20-19(21(24)26-22(25-20)16-7-3-1-4-8-16)15-11-13-18(14-12-15)27-17-9-5-2-6-10-17/h2,5-6,9-14,16H,1,3-4,7-8H2,(H4,23,24,25,26)
InChIKeyGSOGZBMNDZZDPN-UHFFFAOYSA-N
XLogP5.15
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-2-cyclohexyl-5-phenylpyrimidine
CID 65429518
7-cyclohexyl-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-4-amine
CID 177157791
6-bromo-7-cyclohexyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156857293
2-cyclopropyl-6-phenoxypyrimidin-4-amine
CID 80965794
6-chloro-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 12968172
6-cyclopentyl-8-(4-phenoxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine
CID 21036872
1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
azane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen
CID 161199444
4-cyclopentyl-6-(4-methoxyphenyl)-1,3,5-triazin-2-amine
CID 63867774
7-cyclobutyl-6-iodo-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 167079933
5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 71092816
(2-phenoxyphenyl)cycloheptane
CID 56995549

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine (CID 150345252) is 2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine is Nc1nc(C2CCCCC2)nc(N)c1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is GSOGZBMNDZZDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c23-20-19(21(24)26-22(25-20)16-7-3-1-4-8-16)15-11-13-18(14-12-15)27-17-9-5-2-6-10-17/h2,5-6,9-14,16H,1,3-4,7-8H2,(H4,23,24,25,26).
What are the key properties of 2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine?
2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 360.46 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 150345252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).