4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide

C19H24FN5O — CID 146153731

IUPAC4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
SMILESCc1cc(F)ccc1CN[C@@H]1CCN(c2nc(C(N)=O)nc(C)c2C)C1
InChIInChI=1S/C19H24FN5O/c1-11-8-15(20)5-4-14(11)9-22-16-6-7-25(10-16)19-12(2)13(3)23-18(24-19)17(21)26/h4-5,8,16,22H,6-7,9-10H2,1-3H3,(H2,21,26)/t16-/m1/s1
InChIKeyVJGGLFDNNIEHDW-MRXNPFEDSA-N
MW357.43 g/mol
LogP2.01
Rot. Bonds5

About 4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide

4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide (PubChem CID 146153731) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
PubChem CID146153731
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
SMILESCc1cc(F)ccc1CN[C@@H]1CCN(c2nc(C(N)=O)nc(C)c2C)C1
InChIInChI=1S/C19H24FN5O/c1-11-8-15(20)5-4-14(11)9-22-16-6-7-25(10-16)19-12(2)13(3)23-18(24-19)17(21)26/h4-5,8,16,22H,6-7,9-10H2,1-3H3,(H2,21,26)/t16-/m1/s1
InChIKeyVJGGLFDNNIEHDW-MRXNPFEDSA-N
XLogP2.01
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3R)-3-[(2-fluoro-3-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 154794650
4-[(3R)-3-[(3,5-difluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146112391
4-[(3R)-3-(isoquinolin-6-ylmethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 167790200
4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146112059
4,5-dimethyl-6-[(3R)-3-(3-phenylprop-2-enylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 154799070
4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 167881779
4-[(3R)-3-[(5-fluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146111977
4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146112247
4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146111667
4-[(3R)-3-[(3,4-dimethylphenyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146102386
4-[(3R)-3-[1-(3-ethyl-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146153772
N,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146111830

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide (CID 146153731) is 4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide is Cc1cc(F)ccc1CN[C@@H]1CCN(c2nc(C(N)=O)nc(C)c2C)C1.
What is the InChIKey of 4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide?
The InChIKey is VJGGLFDNNIEHDW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-11-8-15(20)5-4-14(11)9-22-16-6-7-25(10-16)19-12(2)13(3)23-18(24-19)17(21)26/h4-5,8,16,22H,6-7,9-10H2,1-3H3,(H2,21,26)/t16-/m1/s1.
What are the key properties of 4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide?
4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146153731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).