5-bromo-2-cyclopropyl-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrimidine-4-carboxamide

C14H19BrN4O — CID 164643278

IUPAC5-bromo-2-cyclopropyl-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrimidine-4-carboxamide
SMILESCCN1CC[C@H](NC(=O)c2nc(C3CC3)ncc2Br)C1
InChIInChI=1S/C14H19BrN4O/c1-2-19-6-5-10(8-19)17-14(20)12-11(15)7-16-13(18-12)9-3-4-9/h7,9-10H,2-6,8H2,1H3,(H,17,20)/t10-/m0/s1
InChIKeyMUKXNNKLPGCCFT-JTQLQIEISA-N
MW339.24 g/mol
LogP1.94
Rot. Bonds4

About 5-bromo-2-cyclopropyl-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrimidine-4-carboxamide

5-bromo-2-cyclopropyl-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrimidine-4-carboxamide (PubChem CID 164643278) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 5-bromo-2-cyclopropyl-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-bromo-2-cyclopropyl-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrimidine-4-carboxamide
PubChem CID164643278
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name5-bromo-2-cyclopropyl-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrimidine-4-carboxamide
SMILESCCN1CC[C@H](NC(=O)c2nc(C3CC3)ncc2Br)C1
InChIInChI=1S/C14H19BrN4O/c1-2-19-6-5-10(8-19)17-14(20)12-11(15)7-16-13(18-12)9-3-4-9/h7,9-10H,2-6,8H2,1H3,(H,17,20)/t10-/m0/s1
InChIKeyMUKXNNKLPGCCFT-JTQLQIEISA-N
XLogP1.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopropyl-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of 5-bromo-2-cyclopropyl-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrimidine-4-carboxamide (CID 164643278) is 5-bromo-2-cyclopropyl-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-bromo-2-cyclopropyl-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-bromo-2-cyclopropyl-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrimidine-4-carboxamide is CCN1CC[C@H](NC(=O)c2nc(C3CC3)ncc2Br)C1.
What is the InChIKey of 5-bromo-2-cyclopropyl-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrimidine-4-carboxamide?
The InChIKey is MUKXNNKLPGCCFT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-2-19-6-5-10(8-19)17-14(20)12-11(15)7-16-13(18-12)9-3-4-9/h7,9-10H,2-6,8H2,1H3,(H,17,20)/t10-/m0/s1.
What are the key properties of 5-bromo-2-cyclopropyl-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrimidine-4-carboxamide?
5-bromo-2-cyclopropyl-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrimidine-4-carboxamide has a molecular weight of 339.24 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropyl-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 164643278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).