[2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

C16H21N5O2 — CID 127245516

IUPAC[2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1cc(N)nc(C2(C)CCCN2C(=O)c2c(C)noc2C)n1
InChIInChI=1S/C16H21N5O2/c1-9-8-12(17)19-15(18-9)16(4)6-5-7-21(16)14(22)13-10(2)20-23-11(13)3/h8H,5-7H2,1-4H3,(H2,17,18,19)
InChIKeyQRDLBLRRZKPLTP-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.12
Rot. Bonds2

About [2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

[2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 127245516) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID127245516
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1cc(N)nc(C2(C)CCCN2C(=O)c2c(C)noc2C)n1
InChIInChI=1S/C16H21N5O2/c1-9-8-12(17)19-15(18-9)16(4)6-5-7-21(16)14(22)13-10(2)20-23-11(13)3/h8H,5-7H2,1-4H3,(H2,17,18,19)
InChIKeyQRDLBLRRZKPLTP-UHFFFAOYSA-N
XLogP2.12
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 127245516) is [2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1cc(N)nc(C2(C)CCCN2C(=O)c2c(C)noc2C)n1.
What is the InChIKey of [2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is QRDLBLRRZKPLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-9-8-12(17)19-15(18-9)16(4)6-5-7-21(16)14(22)13-10(2)20-23-11(13)3/h8H,5-7H2,1-4H3,(H2,17,18,19).
What are the key properties of [2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
[2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 127245516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).