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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Related Compounds

6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine
CID 66332908
4-[(6-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 105023361
6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 135093000
6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 144655156
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine
CID 62770940
5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64668199
4,6-diethylpyrimidine;N-methylmethanamine
CID 67760637
3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-5-methylpyridin-2-amine
CID 105367263
N-(2-methylcyclopropyl)-6-propylpyrimidin-4-amine
CID 62398962
6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine
CID 114123935
N-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine
CID 113371049
N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine
CID 115880999

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).