4-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide

C17H23N5O2 — CID 167816129

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide
SMILESCc1nc(C(=O)N(C)Cc2ccco2)nc(N2CC[C@@H](N)C2)c1C
InChIInChI=1S/C17H23N5O2/c1-11-12(2)19-15(20-16(11)22-7-6-13(18)9-22)17(23)21(3)10-14-5-4-8-24-14/h4-5,8,13H,6-7,9-10,18H2,1-3H3/t13-/m1/s1
InChIKeyZEALEXWCHJDYGS-CYBMUJFWSA-N
MW329.40 g/mol
LogP1.50
Rot. Bonds4

About 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide

4-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide (PubChem CID 167816129) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide
PubChem CID167816129
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide
SMILESCc1nc(C(=O)N(C)Cc2ccco2)nc(N2CC[C@@H](N)C2)c1C
InChIInChI=1S/C17H23N5O2/c1-11-12(2)19-15(20-16(11)22-7-6-13(18)9-22)17(23)21(3)10-14-5-4-8-24-14/h4-5,8,13H,6-7,9-10,18H2,1-3H3/t13-/m1/s1
InChIKeyZEALEXWCHJDYGS-CYBMUJFWSA-N
XLogP1.50
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-(2,4-difluorophenyl)ethyl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 154799240
4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5,6-dimethylpyrimidine-2-carboxamide
CID 154793531
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(3,3-difluorocyclobutyl)-N,5,6-trimethylpyrimidine-2-carboxamide
CID 167894978
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 167849246
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 146153945
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(5-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 167888827
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 146153943
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methanone
CID 146113536
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[3-(hydroxymethyl)phenyl]methyl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146110542
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(7-azaspiro[4.6]undecan-7-yl)methanone
CID 154794358
4-(azocan-1-yl)-N-(furan-2-ylmethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42323224

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide (CID 167816129) is 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide is Cc1nc(C(=O)N(C)Cc2ccco2)nc(N2CC[C@@H](N)C2)c1C.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide?
The InChIKey is ZEALEXWCHJDYGS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-12(2)19-15(20-16(11)22-7-6-13(18)9-22)17(23)21(3)10-14-5-4-8-24-14/h4-5,8,13H,6-7,9-10,18H2,1-3H3/t13-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide?
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.50, 4 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]-N-(furan-2-ylmethyl)-N,5,6-trimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 167816129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).