6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine

C12H20N4O — CID 66319466

IUPAC6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine
SMILESCCOc1cc(N(C)C2CCCNC2)ncn1
InChIInChI=1S/C12H20N4O/c1-3-17-12-7-11(14-9-15-12)16(2)10-5-4-6-13-8-10/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyWUPQVCDEIBLCTR-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.06
Rot. Bonds4

About 6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine

6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine (PubChem CID 66319466) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine
PubChem CID66319466
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine
SMILESCCOc1cc(N(C)C2CCCNC2)ncn1
InChIInChI=1S/C12H20N4O/c1-3-17-12-7-11(14-9-15-12)16(2)10-5-4-6-13-8-10/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyWUPQVCDEIBLCTR-UHFFFAOYSA-N
XLogP1.06
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-piperidin-3-yl-6-propan-2-yloxypyrimidin-4-amine
CID 66333032
6-methoxy-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319644
4-N,6-N-dimethyl-6-N-piperidin-3-yl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265979
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465
6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine
CID 96555845
N-(2-bromocyclohexyl)-6-ethoxy-N-methylpyrimidin-4-amine
CID 102637637
6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 66319233
6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 66569692
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319236
4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115265972
2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 64830287
3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71639633

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine (CID 66319466) is 6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine is CCOc1cc(N(C)C2CCCNC2)ncn1.
What is the InChIKey of 6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine?
The InChIKey is WUPQVCDEIBLCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-17-12-7-11(14-9-15-12)16(2)10-5-4-6-13-8-10/h7,9-10,13H,3-6,8H2,1-2H3.
What are the key properties of 6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine?
6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 66319466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).