[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone

C16H21N5O — CID 110113681

IUPAC[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCNc1cc(C2CCCN2C(=O)c2cccn2C)nc(C)n1
InChIInChI=1S/C16H21N5O/c1-11-18-12(10-15(17-2)19-11)13-6-5-9-21(13)16(22)14-7-4-8-20(14)3/h4,7-8,10,13H,5-6,9H2,1-3H3,(H,17,18,19)
InChIKeyLXRMJQXKBGTECR-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.14
Rot. Bonds3

About [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone

[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 110113681) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID110113681
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCNc1cc(C2CCCN2C(=O)c2cccn2C)nc(C)n1
InChIInChI=1S/C16H21N5O/c1-11-18-12(10-15(17-2)19-11)13-6-5-9-21(13)16(22)14-7-4-8-20(14)3/h4,7-8,10,13H,5-6,9H2,1-3H3,(H,17,18,19)
InChIKeyLXRMJQXKBGTECR-UHFFFAOYSA-N
XLogP2.14
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127246960
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 110113693
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 124953053
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 110091139
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 124975862
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 110113668
1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 124950054
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 124955176
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124950827
(E)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 110091124
2-(2-fluorophenyl)-2-methyl-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110091144
1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 110119264

Frequently Asked Questions

What is the IUPAC name of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 110113681) is [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone is CNc1cc(C2CCCN2C(=O)c2cccn2C)nc(C)n1.
What is the InChIKey of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is LXRMJQXKBGTECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-18-12(10-15(17-2)19-11)13-6-5-9-21(13)16(22)14-7-4-8-20(14)3/h4,7-8,10,13H,5-6,9H2,1-3H3,(H,17,18,19).
What are the key properties of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 299.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 110113681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).