6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine

C11H18N4O2 — CID 66317674

IUPAC6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine
SMILESCCOc1cc(NC2CNC[C@@H]2OC)ncn1
InChIInChI=1S/C11H18N4O2/c1-3-17-11-4-10(13-7-14-11)15-8-5-12-6-9(8)16-2/h4,7-9,12H,3,5-6H2,1-2H3,(H,13,14,15)/t8?,9-/m0/s1
InChIKeyZZRFOOVPRBWDAP-GKAPJAKFSA-N
MW238.29 g/mol
LogP0.27
Rot. Bonds5

About 6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine

6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 66317674) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID66317674
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine
SMILESCCOc1cc(NC2CNC[C@@H]2OC)ncn1
InChIInChI=1S/C11H18N4O2/c1-3-17-11-4-10(13-7-14-11)15-8-5-12-6-9(8)16-2/h4,7-9,12H,3,5-6H2,1-2H3,(H,13,14,15)/t8?,9-/m0/s1
InChIKeyZZRFOOVPRBWDAP-GKAPJAKFSA-N
XLogP0.27
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine (CID 66317674) is 6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine is CCOc1cc(NC2CNC[C@@H]2OC)ncn1.
What is the InChIKey of 6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is ZZRFOOVPRBWDAP-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-17-11-4-10(13-7-14-11)15-8-5-12-6-9(8)16-2/h4,7-9,12H,3,5-6H2,1-2H3,(H,13,14,15)/t8?,9-/m0/s1.
What are the key properties of 6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine?
6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 238.29 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 66317674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).