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

C15H21F2N5O — CID 146153976

IUPAC[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCC(F)(F)C2)nc(N2CC[C@@H](N)C2)c1C
InChIInChI=1S/C15H21F2N5O/c1-9-10(2)19-12(14(23)22-6-4-15(16,17)8-22)20-13(9)21-5-3-11(18)7-21/h11H,3-8,18H2,1-2H3/t11-/m1/s1
InChIKeyKDMHWWACWDGMJJ-LLVKDONJSA-N
MW325.36 g/mol
LogP1.11
Rot. Bonds2

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

[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone (PubChem CID 146153976) has the molecular formula C15H21F2N5O and a molecular weight of 325.36 g/mol. Its IUPAC name is [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
PubChem CID146153976
Molecular FormulaC15H21F2N5O
Molecular Weight325.36 g/mol
Exact Mass325.17
IUPAC Name[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCC(F)(F)C2)nc(N2CC[C@@H](N)C2)c1C
InChIInChI=1S/C15H21F2N5O/c1-9-10(2)19-12(14(23)22-6-4-15(16,17)8-22)20-13(9)21-5-3-11(18)7-21/h11H,3-8,18H2,1-2H3/t11-/m1/s1
InChIKeyKDMHWWACWDGMJJ-LLVKDONJSA-N
XLogP1.11
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The IUPAC name of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone (CID 146153976) is [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The canonical SMILES for [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone is Cc1nc(C(=O)N2CCC(F)(F)C2)nc(N2CC[C@@H](N)C2)c1C.
What is the InChIKey of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The InChIKey is KDMHWWACWDGMJJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21F2N5O/c1-9-10(2)19-12(14(23)22-6-4-15(16,17)8-22)20-13(9)21-5-3-11(18)7-21/h11H,3-8,18H2,1-2H3/t11-/m1/s1.
What are the key properties of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone?
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone has a molecular weight of 325.36 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3,3-difluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 146153976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).