1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide

C11H18N6O — CID 80806770

IUPAC1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1cc(NC)nc(N)n1
InChIInChI=1S/C11H18N6O/c1-13-8-6-9(16-11(12)15-8)17-5-3-4-7(17)10(18)14-2/h6-7H,3-5H2,1-2H3,(H,14,18)(H3,12,13,15,16)
InChIKeyZPALJSQLVYTFHA-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.18
Rot. Bonds3

About 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide

1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 80806770) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
PubChem CID80806770
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1cc(NC)nc(N)n1
InChIInChI=1S/C11H18N6O/c1-13-8-6-9(16-11(12)15-8)17-5-3-4-7(17)10(18)14-2/h6-7H,3-5H2,1-2H3,(H,14,18)(H3,12,13,15,16)
InChIKeyZPALJSQLVYTFHA-UHFFFAOYSA-N
XLogP-0.18
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80785772
1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 114564561
[(2R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 122491334
6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
CID 80819254
N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806703
1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80904574
1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80960881
1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806613
1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80960742
1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 80756026
1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80940164
1-(2-hydrazinylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80904751

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide (CID 80806770) is 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1cc(NC)nc(N)n1.
What is the InChIKey of 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is ZPALJSQLVYTFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-13-8-6-9(16-11(12)15-8)17-5-3-4-7(17)10(18)14-2/h6-7H,3-5H2,1-2H3,(H,14,18)(H3,12,13,15,16).
What are the key properties of 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 250.31 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 80806770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).