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

C11H18N4O — CID 61240510

IUPAC6-ethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine
SMILESCCc1cc(NC2CNC[C@@H]2OC)ncn1
InChIInChI=1S/C11H18N4O/c1-3-8-4-11(14-7-13-8)15-9-5-12-6-10(9)16-2/h4,7,9-10,12H,3,5-6H2,1-2H3,(H,13,14,15)/t9?,10-/m0/s1
InChIKeyVTWOYZQTRSKNAI-AXDSSHIGSA-N
MW222.29 g/mol
LogP0.44
Rot. Bonds4

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

6-ethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 61240510) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-ethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID61240510
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-ethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine
SMILESCCc1cc(NC2CNC[C@@H]2OC)ncn1
InChIInChI=1S/C11H18N4O/c1-3-8-4-11(14-7-13-8)15-9-5-12-6-10(9)16-2/h4,7,9-10,12H,3,5-6H2,1-2H3,(H,13,14,15)/t9?,10-/m0/s1
InChIKeyVTWOYZQTRSKNAI-AXDSSHIGSA-N
XLogP0.44
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine (CID 61240510) is 6-ethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine is CCc1cc(NC2CNC[C@@H]2OC)ncn1.
What is the InChIKey of 6-ethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is VTWOYZQTRSKNAI-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-8-4-11(14-7-13-8)15-9-5-12-6-10(9)16-2/h4,7,9-10,12H,3,5-6H2,1-2H3,(H,13,14,15)/t9?,10-/m0/s1.
What are the key properties of 6-ethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine?
6-ethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 222.29 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 61240510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).