(2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide

C14H21N5O2 — CID 95851895

IUPAC(2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide
SMILESCc1nc(N)ncc1C(=O)N1CCC[C@@]1(C)C(=O)N(C)C
InChIInChI=1S/C14H21N5O2/c1-9-10(8-16-13(15)17-9)11(20)19-7-5-6-14(19,2)12(21)18(3)4/h8H,5-7H2,1-4H3,(H2,15,16,17)/t14-/m0/s1
InChIKeyLZVZGHYHRGYJGP-AWEZNQCLSA-N
MW291.36 g/mol
LogP0.45
Rot. Bonds2

About (2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide

(2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide (PubChem CID 95851895) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is (2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide
PubChem CID95851895
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name(2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide
SMILESCc1nc(N)ncc1C(=O)N1CCC[C@@]1(C)C(=O)N(C)C
InChIInChI=1S/C14H21N5O2/c1-9-10(8-16-13(15)17-9)11(20)19-7-5-6-14(19,2)12(21)18(3)4/h8H,5-7H2,1-4H3,(H2,15,16,17)/t14-/m0/s1
InChIKeyLZVZGHYHRGYJGP-AWEZNQCLSA-N
XLogP0.45
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide
CID 110244224
(2,4-dimethylpyrimidin-5-yl)-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone
CID 110249155
(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone
CID 127245522
(3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide
CID 92632445
(2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 95851494
(2S)-1-(5-hydroxy-2-methylpyridine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 121496676
(3S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97117341
azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 20959486
N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide
CID 110249134
4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one
CID 86287002
2-(2-amino-4-methylpyrimidine-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119070658
N,N,2-trimethyl-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide
CID 110249167

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide (CID 95851895) is (2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide is Cc1nc(N)ncc1C(=O)N1CCC[C@@]1(C)C(=O)N(C)C.
What is the InChIKey of (2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide?
The InChIKey is LZVZGHYHRGYJGP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-9-10(8-16-13(15)17-9)11(20)19-7-5-6-14(19,2)12(21)18(3)4/h8H,5-7H2,1-4H3,(H2,15,16,17)/t14-/m0/s1.
What are the key properties of (2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide?
(2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide has a molecular weight of 291.36 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95851895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).