N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-ethylpyrimidine-5-carboxamide

C14H22N4O2 — CID 72932270

IUPACN-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-ethylpyrimidine-5-carboxamide
SMILESCCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cnc(CC)nc1
InChIInChI=1S/C14H22N4O2/c1-4-13-15-6-10(7-16-13)14(19)17-11-8-18(3)9-12(11)20-5-2/h6-7,11-12H,4-5,8-9H2,1-3H3,(H,17,19)/t11-,12-/m0/s1
InChIKeyCXURCZAHZIGEPF-RYUDHWBXSA-N
MW278.36 g/mol
LogP0.49
Rot. Bonds5

About N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-ethylpyrimidine-5-carboxamide

N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-ethylpyrimidine-5-carboxamide (PubChem CID 72932270) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-ethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-ethylpyrimidine-5-carboxamide
PubChem CID72932270
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-ethylpyrimidine-5-carboxamide
SMILESCCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cnc(CC)nc1
InChIInChI=1S/C14H22N4O2/c1-4-13-15-6-10(7-16-13)14(19)17-11-8-18(3)9-12(11)20-5-2/h6-7,11-12H,4-5,8-9H2,1-3H3,(H,17,19)/t11-,12-/m0/s1
InChIKeyCXURCZAHZIGEPF-RYUDHWBXSA-N
XLogP0.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-ethylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-ethylpyrimidine-5-carboxamide (CID 72932270) is N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-ethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-ethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-ethylpyrimidine-5-carboxamide is CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cnc(CC)nc1.
What is the InChIKey of N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-ethylpyrimidine-5-carboxamide?
The InChIKey is CXURCZAHZIGEPF-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-13-15-6-10(7-16-13)14(19)17-11-8-18(3)9-12(11)20-5-2/h6-7,11-12H,4-5,8-9H2,1-3H3,(H,17,19)/t11-,12-/m0/s1.
What are the key properties of N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-ethylpyrimidine-5-carboxamide?
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-ethylpyrimidine-5-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-ethylpyrimidine-5-carboxamide is sourced from PubChem (CID 72932270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).