(2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide

C14H21N5O2 — CID 56707644

IUPAC(2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCCCc1ncncc1C(=O)N1C[C@@H](N)C[C@H]1C(=O)NC
InChIInChI=1S/C14H21N5O2/c1-3-4-11-10(6-17-8-18-11)14(21)19-7-9(15)5-12(19)13(20)16-2/h6,8-9,12H,3-5,7,15H2,1-2H3,(H,16,20)/t9-,12-/m0/s1
InChIKeyISMMDVAXOPCIRB-CABZTGNLSA-N
MW291.36 g/mol
LogP-0.28
Rot. Bonds4

About (2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56707644) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56707644
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name(2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCCCc1ncncc1C(=O)N1C[C@@H](N)C[C@H]1C(=O)NC
InChIInChI=1S/C14H21N5O2/c1-3-4-11-10(6-17-8-18-11)14(21)19-7-9(15)5-12(19)13(20)16-2/h6,8-9,12H,3-5,7,15H2,1-2H3,(H,16,20)/t9-,12-/m0/s1
InChIKeyISMMDVAXOPCIRB-CABZTGNLSA-N
XLogP-0.28
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5H,6H,7H,8H-pyrido(4,3-d)pyrimidin-5-one
CID 57424752
2-(2-oxoazetidin-1-yl)-N-(7H-pyrrolo[3,4-d]pyrimidin-7-ylmethyl)pentanamide
CID 44402701
N-[2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 53502292
N-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 53502557
N-(2-morpholin-4-ylethyl)-4-propan-2-ylpyrimidine-5-carboxamide
CID 53505726
4-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide
CID 53506050
4-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 53506680
N-[2-(2-methylpiperidin-1-yl)ethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 53506851
N-[2-(azepan-1-yl)ethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 53527654
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 53538025
1-(Cyclohexylmethyl)-4-[(4-ethyl-5-methylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 56901227
4-ethyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 72149706

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide (CID 56707644) is (2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide is CCCc1ncncc1C(=O)N1C[C@@H](N)C[C@H]1C(=O)NC.
What is the InChIKey of (2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is ISMMDVAXOPCIRB-CABZTGNLSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-4-11-10(6-17-8-18-11)14(21)19-7-9(15)5-12(19)13(20)16-2/h6,8-9,12H,3-5,7,15H2,1-2H3,(H,16,20)/t9-,12-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 291.36 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56707644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).