3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide

C12H18N4O — CID 107588576

IUPAC3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2cncnc2)CCNC1
InChIInChI=1S/C12H18N4O/c1-9(2)12(3-4-13-7-12)11(17)16-10-5-14-8-15-6-10/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyTYMQRQURPCWQMC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.05
Rot. Bonds3

About 3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide

3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide (PubChem CID 107588576) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide
PubChem CID107588576
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2cncnc2)CCNC1
InChIInChI=1S/C12H18N4O/c1-9(2)12(3-4-13-7-12)11(17)16-10-5-14-8-15-6-10/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyTYMQRQURPCWQMC-UHFFFAOYSA-N
XLogP1.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-propan-2-ylpyrrolidin-3-yl)-pyrimidin-5-ylmethanone
CID 106982102
N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979554
N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979573
2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 106980427
3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106980261
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981090
N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979908
3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide
CID 106979653
2-fluoro-4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 107795101

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide?
The IUPAC name of 3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide (CID 107588576) is 3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)Nc2cncnc2)CCNC1.
What is the InChIKey of 3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide?
The InChIKey is TYMQRQURPCWQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9(2)12(3-4-13-7-12)11(17)16-10-5-14-8-15-6-10/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide?
3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 107588576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).