4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide

C20H25N5O — CID 167881779

IUPAC4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
SMILESCc1nc(C(N)=O)nc(N2CC[C@@H](NC/C=C/c3ccccc3)C2)c1C
InChIInChI=1S/C20H25N5O/c1-14-15(2)23-19(18(21)26)24-20(14)25-12-10-17(13-25)22-11-6-9-16-7-4-3-5-8-16/h3-9,17,22H,10-13H2,1-2H3,(H2,21,26)/b9-6+/t17-/m1/s1
InChIKeyPUFKAMMPMIPBHZ-RCMYXZNBSA-N
MW351.45 g/mol
LogP2.07
Rot. Bonds6

About 4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide

4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide (PubChem CID 167881779) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
PubChem CID167881779
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
SMILESCc1nc(C(N)=O)nc(N2CC[C@@H](NC/C=C/c3ccccc3)C2)c1C
InChIInChI=1S/C20H25N5O/c1-14-15(2)23-19(18(21)26)24-20(14)25-12-10-17(13-25)22-11-6-9-16-7-4-3-5-8-16/h3-9,17,22H,10-13H2,1-2H3,(H2,21,26)/b9-6+/t17-/m1/s1
InChIKeyPUFKAMMPMIPBHZ-RCMYXZNBSA-N
XLogP2.07
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide with MolForge

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Related Compounds

4,5-dimethyl-6-[(3R)-3-(3-phenylprop-2-enylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 154799070
4-[(3R)-3-[(2-fluoro-3-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 154794650
4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146153731
4-[(3R)-3-(isoquinolin-6-ylmethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 167790200
4-[(3R)-3-[1-(3-ethyl-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146153772
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-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111838
N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146112026
4-[(3R)-3-[(3,4-dimethylphenyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146102386
1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol
CID 142884549
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 4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The IUPAC name of 4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide (CID 167881779) is 4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide is Cc1nc(C(N)=O)nc(N2CC[C@@H](NC/C=C/c3ccccc3)C2)c1C.
What is the InChIKey of 4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The InChIKey is PUFKAMMPMIPBHZ-RCMYXZNBSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-15(2)23-19(18(21)26)24-20(14)25-12-10-17(13-25)22-11-6-9-16-7-4-3-5-8-16/h3-9,17,22H,10-13H2,1-2H3,(H2,21,26)/b9-6+/t17-/m1/s1.
What are the key properties of 4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-[(3R)-3-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 167881779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).