6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine

C12H20N4O2 — CID 66332908

IUPAC6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine
SMILESCCOc1cc(NC2CNC[C@@H]2OC)nc(C)n1
InChIInChI=1S/C12H20N4O2/c1-4-18-12-5-11(14-8(2)15-12)16-9-6-13-7-10(9)17-3/h5,9-10,13H,4,6-7H2,1-3H3,(H,14,15,16)/t9?,10-/m0/s1
InChIKeyQUXQMQSKXBVXCU-AXDSSHIGSA-N
MW252.32 g/mol
LogP0.58
Rot. Bonds5

About 6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine

6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine (PubChem CID 66332908) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine
PubChem CID66332908
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine
SMILESCCOc1cc(NC2CNC[C@@H]2OC)nc(C)n1
InChIInChI=1S/C12H20N4O2/c1-4-18-12-5-11(14-8(2)15-12)16-9-6-13-7-10(9)17-3/h5,9-10,13H,4,6-7H2,1-3H3,(H,14,15,16)/t9?,10-/m0/s1
InChIKeyQUXQMQSKXBVXCU-AXDSSHIGSA-N
XLogP0.58
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.58
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]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine (CID 66332908) is 6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine is CCOc1cc(NC2CNC[C@@H]2OC)nc(C)n1.
What is the InChIKey of 6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine?
The InChIKey is QUXQMQSKXBVXCU-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-18-12-5-11(14-8(2)15-12)16-9-6-13-7-10(9)17-3/h5,9-10,13H,4,6-7H2,1-3H3,(H,14,15,16)/t9?,10-/m0/s1.
What are the key properties of 6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine?
6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 0.58, 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]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66332908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).