4-[[4-(2-cyclopropyl-5-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole

C21H31N5O — CID 155798689

IUPAC4-[[4-(2-cyclopropyl-5-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
SMILESCCc1c(C)nc(C2CC2)nc1N1CCN(Cc2ncoc2C(C)C)CC1
InChIInChI=1S/C21H31N5O/c1-5-17-15(4)23-20(16-6-7-16)24-21(17)26-10-8-25(9-11-26)12-18-19(14(2)3)27-13-22-18/h13-14,16H,5-12H2,1-4H3
InChIKeyWCVSUZBYALNRRF-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.66
Rot. Bonds6

About 4-[[4-(2-cyclopropyl-5-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole

4-[[4-(2-cyclopropyl-5-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole (PubChem CID 155798689) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-[[4-(2-cyclopropyl-5-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(2-cyclopropyl-5-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
PubChem CID155798689
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name4-[[4-(2-cyclopropyl-5-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
SMILESCCc1c(C)nc(C2CC2)nc1N1CCN(Cc2ncoc2C(C)C)CC1
InChIInChI=1S/C21H31N5O/c1-5-17-15(4)23-20(16-6-7-16)24-21(17)26-10-8-25(9-11-26)12-18-19(14(2)3)27-13-22-18/h13-14,16H,5-12H2,1-4H3
InChIKeyWCVSUZBYALNRRF-UHFFFAOYSA-N
XLogP3.66
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-cyclopropyl-5-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-[[4-(2-cyclopropyl-5-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole (CID 155798689) is 4-[[4-(2-cyclopropyl-5-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(2-cyclopropyl-5-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-[[4-(2-cyclopropyl-5-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole is CCc1c(C)nc(C2CC2)nc1N1CCN(Cc2ncoc2C(C)C)CC1.
What is the InChIKey of 4-[[4-(2-cyclopropyl-5-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole?
The InChIKey is WCVSUZBYALNRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-5-17-15(4)23-20(16-6-7-16)24-21(17)26-10-8-25(9-11-26)12-18-19(14(2)3)27-13-22-18/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 4-[[4-(2-cyclopropyl-5-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole?
4-[[4-(2-cyclopropyl-5-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole has a molecular weight of 369.51 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-cyclopropyl-5-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 155798689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).