[4-(4-naphthalen-2-ylpyrimidin-2-yl)oxycyclohexyl]methylcarbamic acid

C22H23N3O3 — CID 68727551

IUPAC[4-(4-naphthalen-2-ylpyrimidin-2-yl)oxycyclohexyl]methylcarbamic acid
SMILESO=C(O)NCC1CCC(Oc2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C22H23N3O3/c26-22(27)24-14-15-5-9-19(10-6-15)28-21-23-12-11-20(25-21)18-8-7-16-3-1-2-4-17(16)13-18/h1-4,7-8,11-13,15,19,24H,5-6,9-10,14H2,(H,26,27)
InChIKeyMQHCECZWBULCAN-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.50
Rot. Bonds5

About [4-(4-naphthalen-2-ylpyrimidin-2-yl)oxycyclohexyl]methylcarbamic acid

[4-(4-naphthalen-2-ylpyrimidin-2-yl)oxycyclohexyl]methylcarbamic acid (PubChem CID 68727551) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [4-(4-naphthalen-2-ylpyrimidin-2-yl)oxycyclohexyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-(4-naphthalen-2-ylpyrimidin-2-yl)oxycyclohexyl]methylcarbamic acid
PubChem CID68727551
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[4-(4-naphthalen-2-ylpyrimidin-2-yl)oxycyclohexyl]methylcarbamic acid
SMILESO=C(O)NCC1CCC(Oc2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C22H23N3O3/c26-22(27)24-14-15-5-9-19(10-6-15)28-21-23-12-11-20(25-21)18-8-7-16-3-1-2-4-17(16)13-18/h1-4,7-8,11-13,15,19,24H,5-6,9-10,14H2,(H,26,27)
InChIKeyMQHCECZWBULCAN-UHFFFAOYSA-N
XLogP4.50
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-naphthalen-2-ylpyrimidin-2-yl)oxycyclohexyl]methylcarbamic acid?
The IUPAC name of [4-(4-naphthalen-2-ylpyrimidin-2-yl)oxycyclohexyl]methylcarbamic acid (CID 68727551) is [4-(4-naphthalen-2-ylpyrimidin-2-yl)oxycyclohexyl]methylcarbamic acid.
What is the SMILES notation for [4-(4-naphthalen-2-ylpyrimidin-2-yl)oxycyclohexyl]methylcarbamic acid?
The canonical SMILES for [4-(4-naphthalen-2-ylpyrimidin-2-yl)oxycyclohexyl]methylcarbamic acid is O=C(O)NCC1CCC(Oc2nccc(-c3ccc4ccccc4c3)n2)CC1.
What is the InChIKey of [4-(4-naphthalen-2-ylpyrimidin-2-yl)oxycyclohexyl]methylcarbamic acid?
The InChIKey is MQHCECZWBULCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-22(27)24-14-15-5-9-19(10-6-15)28-21-23-12-11-20(25-21)18-8-7-16-3-1-2-4-17(16)13-18/h1-4,7-8,11-13,15,19,24H,5-6,9-10,14H2,(H,26,27).
What are the key properties of [4-(4-naphthalen-2-ylpyrimidin-2-yl)oxycyclohexyl]methylcarbamic acid?
[4-(4-naphthalen-2-ylpyrimidin-2-yl)oxycyclohexyl]methylcarbamic acid has a molecular weight of 377.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-naphthalen-2-ylpyrimidin-2-yl)oxycyclohexyl]methylcarbamic acid is sourced from PubChem (CID 68727551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).