N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine

C21H25N5O — CID 77080114

IUPACN-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
SMILESCc1noc(C)c1C1CCCN1Cc1cnc(NCc2ccccc2)nc1
InChIInChI=1S/C21H25N5O/c1-15-20(16(2)27-25-15)19-9-6-10-26(19)14-18-12-23-21(24-13-18)22-11-17-7-4-3-5-8-17/h3-5,7-8,12-13,19H,6,9-11,14H2,1-2H3,(H,22,23,24)
InChIKeySJGHEQRJOUODKE-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.03
Rot. Bonds6

About N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine

N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 77080114) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
PubChem CID77080114
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
SMILESCc1noc(C)c1C1CCCN1Cc1cnc(NCc2ccccc2)nc1
InChIInChI=1S/C21H25N5O/c1-15-20(16(2)27-25-15)19-9-6-10-26(19)14-18-12-23-21(24-13-18)22-11-17-7-4-3-5-8-17/h3-5,7-8,12-13,19H,6,9-11,14H2,1-2H3,(H,22,23,24)
InChIKeySJGHEQRJOUODKE-UHFFFAOYSA-N
XLogP4.03
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 53009622
3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
CID 95124993
4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732569
3,5-dimethyl-4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92502967
3,5-dimethyl-4-[(2R)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92732490
5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 95722957
4-[(2S)-1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732091
3,5-dimethyl-4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
CID 99931192
5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-methoxyphenol
CID 50809373
4-[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
CID 74231053
4-[(2R)-1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 95143216
4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732438

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine (CID 77080114) is N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine is Cc1noc(C)c1C1CCCN1Cc1cnc(NCc2ccccc2)nc1.
What is the InChIKey of N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is SJGHEQRJOUODKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-20(16(2)27-25-15)19-9-6-10-26(19)14-18-12-23-21(24-13-18)22-11-17-7-4-3-5-8-17/h3-5,7-8,12-13,19H,6,9-11,14H2,1-2H3,(H,22,23,24).
What are the key properties of N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine?
N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 77080114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).