[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H27N7O — CID 146153943

IUPAC[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3ccccn3)CC2)nc(N2CC[C@@H](N)C2)c1C
InChIInChI=1S/C20H27N7O/c1-14-15(2)23-18(24-19(14)27-8-6-16(21)13-27)20(28)26-11-9-25(10-12-26)17-5-3-4-7-22-17/h3-5,7,16H,6,8-13,21H2,1-2H3/t16-/m1/s1
InChIKeyHXKYZHONPHBUHI-MRXNPFEDSA-N
MW381.48 g/mol
LogP0.99
Rot. Bonds3

About [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 146153943) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID146153943
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3ccccn3)CC2)nc(N2CC[C@@H](N)C2)c1C
InChIInChI=1S/C20H27N7O/c1-14-15(2)23-18(24-19(14)27-8-6-16(21)13-27)20(28)26-11-9-25(10-12-26)17-5-3-4-7-22-17/h3-5,7,16H,6,8-13,21H2,1-2H3/t16-/m1/s1
InChIKeyHXKYZHONPHBUHI-MRXNPFEDSA-N
XLogP0.99
TPSA91.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methanone
CID 146113536
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 146150377
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 154800894
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(7-azaspiro[4.6]undecan-7-yl)methanone
CID 154794358
(3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643959
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(6,6-dimethyl-1,4-oxazepan-4-yl)methanone
CID 146113579
4-[(3R)-3-aminopyrrolidin-1-yl]-N-[(2-ethoxyphenyl)methyl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 154793812
(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53168181
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide
CID 167816129
[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109364142
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661

Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 146153943) is [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)nc(N2CC[C@@H](N)C2)c1C.
What is the InChIKey of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is HXKYZHONPHBUHI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N7O/c1-14-15(2)23-18(24-19(14)27-8-6-16(21)13-27)20(28)26-11-9-25(10-12-26)17-5-3-4-7-22-17/h3-5,7,16H,6,8-13,21H2,1-2H3/t16-/m1/s1.
What are the key properties of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 381.48 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 146153943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).