N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide

C13H20N4O — CID 119551523

IUPACN-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncncc1C(=O)N(C)C1CCNC1
InChIInChI=1S/C13H20N4O/c1-9(2)12-11(7-15-8-16-12)13(18)17(3)10-4-5-14-6-10/h7-10,14H,4-6H2,1-3H3
InChIKeyRMAVBPLGFBBJFP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.03
Rot. Bonds3

About N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide

N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide (PubChem CID 119551523) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide
PubChem CID119551523
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncncc1C(=O)N(C)C1CCNC1
InChIInChI=1S/C13H20N4O/c1-9(2)12-11(7-15-8-16-12)13(18)17(3)10-4-5-14-6-10/h7-10,14H,4-6H2,1-3H3
InChIKeyRMAVBPLGFBBJFP-UHFFFAOYSA-N
XLogP1.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124613889
N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 119552693
N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613861
N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
CID 119550200
3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82829855
N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119552868
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 63724260
N-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride
CID 119554410
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110
N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119553240

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide (CID 119551523) is N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide is CC(C)c1ncncc1C(=O)N(C)C1CCNC1.
What is the InChIKey of N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide?
The InChIKey is RMAVBPLGFBBJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(2)12-11(7-15-8-16-12)13(18)17(3)10-4-5-14-6-10/h7-10,14H,4-6H2,1-3H3.
What are the key properties of N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide?
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 119551523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).