5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine

C18H27N5O — CID 99952578

IUPAC5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN2CCC[C@@H]2c2cc(C(C)C)on2)cn1
InChIInChI=1S/C18H27N5O/c1-4-7-19-18-20-10-14(11-21-18)12-23-8-5-6-16(23)15-9-17(13(2)3)24-22-15/h9-11,13,16H,4-8,12H2,1-3H3,(H,19,20,21)/t16-/m1/s1
InChIKeyULHJDKMNQCNOMN-MRXNPFEDSA-N
MW329.45 g/mol
LogP3.75
Rot. Bonds7

About 5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine

5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine (PubChem CID 99952578) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
PubChem CID99952578
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN2CCC[C@@H]2c2cc(C(C)C)on2)cn1
InChIInChI=1S/C18H27N5O/c1-4-7-19-18-20-10-14(11-21-18)12-23-8-5-6-16(23)15-9-17(13(2)3)24-22-15/h9-11,13,16H,4-8,12H2,1-3H3,(H,19,20,21)/t16-/m1/s1
InChIKeyULHJDKMNQCNOMN-MRXNPFEDSA-N
XLogP3.75
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732456
3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732564
5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 95722957
3-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732335
3-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732441
3-[(2R)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732440
3-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732388
5-propan-2-yl-3-[(2R)-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 124751031
4-[[2-methoxy-5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]morpholine
CID 92732122
4-[[2-methoxy-5-[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]morpholine
CID 92732123
[1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol
CID 77098097
3-[(2R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732217

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine (CID 99952578) is 5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine is CCCNc1ncc(CN2CCC[C@@H]2c2cc(C(C)C)on2)cn1.
What is the InChIKey of 5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
The InChIKey is ULHJDKMNQCNOMN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N5O/c1-4-7-19-18-20-10-14(11-21-18)12-23-8-5-6-16(23)15-9-17(13(2)3)24-22-15/h9-11,13,16H,4-8,12H2,1-3H3,(H,19,20,21)/t16-/m1/s1.
What are the key properties of 5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine has a molecular weight of 329.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 99952578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).