3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one

C18H25N5O2 — CID 125004818

IUPAC3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
SMILESCc1cc([C@@H]2CCCCN2C(=O)CCN)nc(-c2c(C)noc2C)n1
InChIInChI=1S/C18H25N5O2/c1-11-10-14(15-6-4-5-9-23(15)16(24)7-8-19)21-18(20-11)17-12(2)22-25-13(17)3/h10,15H,4-9,19H2,1-3H3/t15-/m0/s1
InChIKeyTVEFZJDMRUCSGT-HNNXBMFYSA-N
MW343.43 g/mol
LogP2.46
Rot. Bonds4

About 3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one

3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one (PubChem CID 125004818) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
PubChem CID125004818
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
SMILESCc1cc([C@@H]2CCCCN2C(=O)CCN)nc(-c2c(C)noc2C)n1
InChIInChI=1S/C18H25N5O2/c1-11-10-14(15-6-4-5-9-23(15)16(24)7-8-19)21-18(20-11)17-12(2)22-25-13(17)3/h10,15H,4-9,19H2,1-3H3/t15-/m0/s1
InChIKeyTVEFZJDMRUCSGT-HNNXBMFYSA-N
XLogP2.46
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-[(2R)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 125004819
3-amino-1-[(2S)-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 124998909
1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124996936
3-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propanamide
CID 124966656
[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 124994489
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 110129480
[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124981878
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 110129411
[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 125022078
1-[(2R)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 125011304
2-amino-1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110129418
3,5-dimethyl-4-[4-methyl-6-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]pyrimidin-2-yl]-1,2-oxazole
CID 110129576

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one (CID 125004818) is 3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one is Cc1cc([C@@H]2CCCCN2C(=O)CCN)nc(-c2c(C)noc2C)n1.
What is the InChIKey of 3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The InChIKey is TVEFZJDMRUCSGT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11-10-14(15-6-4-5-9-23(15)16(24)7-8-19)21-18(20-11)17-12(2)22-25-13(17)3/h10,15H,4-9,19H2,1-3H3/t15-/m0/s1.
What are the key properties of 3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one?
3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one has a molecular weight of 343.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 125004818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).