4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine

C12H20N4O — CID 107425678

IUPAC4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NC2(C)CCNC2)n1
InChIInChI=1S/C12H20N4O/c1-4-17-10-7-9(2)14-11(15-10)16-12(3)5-6-13-8-12/h7,13H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyIISCKTVYUBDEIJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.35
Rot. Bonds4

About 4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine

4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine (PubChem CID 107425678) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine
PubChem CID107425678
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NC2(C)CCNC2)n1
InChIInChI=1S/C12H20N4O/c1-4-17-10-7-9(2)14-11(15-10)16-12(3)5-6-13-8-12/h7,13H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyIISCKTVYUBDEIJ-UHFFFAOYSA-N
XLogP1.35
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 107425506
4-methyl-N-(4-methylpiperidin-4-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 114697237
6-ethoxy-N-(3-methylpyrrolidin-3-yl)pyrazin-2-amine
CID 107426019
[4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol
CID 106300257
N-cyclopropyl-4-ethoxy-6-methylpyrimidin-2-amine
CID 94830490
5-methoxy-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 107425446
4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine
CID 107489048
5-iodo-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 107426009
4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 112634792
4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine
CID 112637451
4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
CID 106996136
4-ethoxy-6-methyl-N-piperidin-1-ylpyrimidin-2-amine
CID 112638433

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine (CID 107425678) is 4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine is CCOc1cc(C)nc(NC2(C)CCNC2)n1.
What is the InChIKey of 4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine?
The InChIKey is IISCKTVYUBDEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-17-10-7-9(2)14-11(15-10)16-12(3)5-6-13-8-12/h7,13H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of 4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine?
4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 107425678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).