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

C20H32N6O — CID 146153945

IUPAC[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCC(N3CCCC3)CC2)nc(N2CC[C@@H](N)C2)c1C
InChIInChI=1S/C20H32N6O/c1-14-15(2)22-18(23-19(14)26-10-5-16(21)13-26)20(27)25-11-6-17(7-12-25)24-8-3-4-9-24/h16-17H,3-13,21H2,1-2H3/t16-/m1/s1
InChIKeyASMRZBJMAUXCDY-MRXNPFEDSA-N
MW372.52 g/mol
LogP1.33
Rot. Bonds3

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

[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 146153945) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID146153945
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Name[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCC(N3CCCC3)CC2)nc(N2CC[C@@H](N)C2)c1C
InChIInChI=1S/C20H32N6O/c1-14-15(2)22-18(23-19(14)26-10-5-16(21)13-26)20(27)25-11-6-17(7-12-25)24-8-3-4-9-24/h16-17H,3-13,21H2,1-2H3/t16-/m1/s1
InChIKeyASMRZBJMAUXCDY-MRXNPFEDSA-N
XLogP1.33
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 146153945) is [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is Cc1nc(C(=O)N2CCC(N3CCCC3)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-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is ASMRZBJMAUXCDY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H32N6O/c1-14-15(2)22-18(23-19(14)26-10-5-16(21)13-26)20(27)25-11-6-17(7-12-25)24-8-3-4-9-24/h16-17H,3-13,21H2,1-2H3/t16-/m1/s1.
What are the key properties of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 372.52 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 146153945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).