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

C14H21N5O2 — CID 110244224

IUPAC1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide
SMILESCc1nc(N)ncc1C(=O)N1CCCC1(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)
InChIKeyLZVZGHYHRGYJGP-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.45
Rot. Bonds2

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

1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide (PubChem CID 110244224) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide
PubChem CID110244224
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide
SMILESCc1nc(N)ncc1C(=O)N1CCCC1(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)
InChIKeyLZVZGHYHRGYJGP-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide (CID 110244224) is 1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide is Cc1nc(N)ncc1C(=O)N1CCCC1(C)C(=O)N(C)C.
What is the InChIKey of 1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide?
The InChIKey is LZVZGHYHRGYJGP-UHFFFAOYSA-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).
What are the key properties of 1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide?
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 1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110244224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).