1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one

C21H25N5O2 — CID 59593244

IUPAC1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one
SMILESCCn1cc(-c2ccnc(NC3CCC(O)CC3)n2)n(-c2ccccc2)c1=O
InChIInChI=1S/C21H25N5O2/c1-2-25-14-19(26(21(25)28)16-6-4-3-5-7-16)18-12-13-22-20(24-18)23-15-8-10-17(27)11-9-15/h3-7,12-15,17,27H,2,8-11H2,1H3,(H,22,23,24)
InChIKeyCVRCZJBKLYMQGM-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.83
Rot. Bonds5

About 1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one

1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one (PubChem CID 59593244) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one
PubChem CID59593244
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one
SMILESCCn1cc(-c2ccnc(NC3CCC(O)CC3)n2)n(-c2ccccc2)c1=O
InChIInChI=1S/C21H25N5O2/c1-2-25-14-19(26(21(25)28)16-6-4-3-5-7-16)18-12-13-22-20(24-18)23-15-8-10-17(27)11-9-15/h3-7,12-15,17,27H,2,8-11H2,1H3,(H,22,23,24)
InChIKeyCVRCZJBKLYMQGM-UHFFFAOYSA-N
XLogP2.83
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one?
The IUPAC name of 1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one (CID 59593244) is 1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one.
What is the SMILES notation for 1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one?
The canonical SMILES for 1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one is CCn1cc(-c2ccnc(NC3CCC(O)CC3)n2)n(-c2ccccc2)c1=O.
What is the InChIKey of 1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one?
The InChIKey is CVRCZJBKLYMQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-2-25-14-19(26(21(25)28)16-6-4-3-5-7-16)18-12-13-22-20(24-18)23-15-8-10-17(27)11-9-15/h3-7,12-15,17,27H,2,8-11H2,1H3,(H,22,23,24).
What are the key properties of 1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one?
1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one has a molecular weight of 379.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one is sourced from PubChem (CID 59593244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).