(3S,4S)-4-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

C10H14N4O — CID 128980881

IUPAC(3S,4S)-4-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(c2ncccn2)C[C@H]1C(N)=O
InChIInChI=1S/C10H14N4O/c1-7-5-14(6-8(7)9(11)15)10-12-3-2-4-13-10/h2-4,7-8H,5-6H2,1H3,(H2,11,15)/t7-,8-/m1/s1
InChIKeyOYCBJUDGDACLIB-HTQZYQBOSA-N
MW206.25 g/mol
LogP0.03
Rot. Bonds2

About (3S,4S)-4-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

(3S,4S)-4-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (PubChem CID 128980881) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
PubChem CID128980881
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name(3S,4S)-4-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(c2ncccn2)C[C@H]1C(N)=O
InChIInChI=1S/C10H14N4O/c1-7-5-14(6-8(7)9(11)15)10-12-3-2-4-13-10/h2-4,7-8H,5-6H2,1H3,(H2,11,15)/t7-,8-/m1/s1
InChIKeyOYCBJUDGDACLIB-HTQZYQBOSA-N
XLogP0.03
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylpyrrolidin-1-yl)pyrimidine
CID 130659210
(3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide
CID 128980942
(3S,4S)-1-(3-cyano-4-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide
CID 128980867
1-pyrimidin-2-ylazetidin-3-ol;hydrochloride
CID 155858524
2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 154340043
(3aS,6aR)-N-propan-2-yl-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 97457974
tert-butyl (3aS,6aR)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 124585586
(3S,4S)-1-(6-fluoroquinoline-8-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 167880274
2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid
CID 80997460
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-methylcyclopropane-1-carboxylate
CID 51110303
methyl 1-(1,2,4-benzotriazin-3-yl)-4-methylpyrrolidine-3-carboxylate
CID 103204962
2-(3-propan-2-ylazetidin-1-yl)pyrimidine
CID 130933035

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (CID 128980881) is (3S,4S)-4-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is C[C@@H]1CN(c2ncccn2)C[C@H]1C(N)=O.
What is the InChIKey of (3S,4S)-4-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is OYCBJUDGDACLIB-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7-5-14(6-8(7)9(11)15)10-12-3-2-4-13-10/h2-4,7-8H,5-6H2,1H3,(H2,11,15)/t7-,8-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
(3S,4S)-4-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 206.25 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 128980881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).