4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide

C20H27FN6O — CID 146112247

IUPAC4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
SMILESCc1nc(C(N)=O)nc(N2CC[C@@H](NC(c3ccc(F)cn3)C(C)C)C2)c1C
InChIInChI=1S/C20H27FN6O/c1-11(2)17(16-6-5-14(21)9-23-16)25-15-7-8-27(10-15)20-12(3)13(4)24-19(26-20)18(22)28/h5-6,9,11,15,17,25H,7-8,10H2,1-4H3,(H2,22,28)/t15-,17?/m1/s1
InChIKeyFJAZBNMUJNYKDS-LDCVWXEPSA-N
MW386.48 g/mol
LogP2.29
Rot. Bonds6

About 4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide

4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide (PubChem CID 146112247) has the molecular formula C20H27FN6O and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
PubChem CID146112247
Molecular FormulaC20H27FN6O
Molecular Weight386.48 g/mol
Exact Mass386.22
IUPAC Name4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
SMILESCc1nc(C(N)=O)nc(N2CC[C@@H](NC(c3ccc(F)cn3)C(C)C)C2)c1C
InChIInChI=1S/C20H27FN6O/c1-11(2)17(16-6-5-14(21)9-23-16)25-15-7-8-27(10-15)20-12(3)13(4)24-19(26-20)18(22)28/h5-6,9,11,15,17,25H,7-8,10H2,1-4H3,(H2,22,28)/t15-,17?/m1/s1
InChIKeyFJAZBNMUJNYKDS-LDCVWXEPSA-N
XLogP2.29
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 154799523
4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146111667
4-[(3R)-3-[(3,5-difluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146112391
4-[(3R)-3-[1-(3-ethyl-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146153772
4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146153731
4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146112059
4-[(3R)-3-[(2-fluoro-3-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 154794650
4-[(3R)-3-[(5-fluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146111977
N-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methylpropyl]-1-methylsulfonylpiperidin-4-amine
CID 99852900
4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 167881779
4,5-dimethyl-6-[(3R)-3-(3-phenylprop-2-enylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 154799070
4-[(3R)-3-(isoquinolin-6-ylmethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 167790200

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide (CID 146112247) is 4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide is Cc1nc(C(N)=O)nc(N2CC[C@@H](NC(c3ccc(F)cn3)C(C)C)C2)c1C.
What is the InChIKey of 4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide?
The InChIKey is FJAZBNMUJNYKDS-LDCVWXEPSA-N. The full InChI is InChI=1S/C20H27FN6O/c1-11(2)17(16-6-5-14(21)9-23-16)25-15-7-8-27(10-15)20-12(3)13(4)24-19(26-20)18(22)28/h5-6,9,11,15,17,25H,7-8,10H2,1-4H3,(H2,22,28)/t15-,17?/m1/s1.
What are the key properties of 4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide?
4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146112247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).