6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine

C12H20N4O — CID 66319233

IUPAC6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
SMILESCCOc1cc(NCC2CCCNC2)ncn1
InChIInChI=1S/C12H20N4O/c1-2-17-12-6-11(15-9-16-12)14-8-10-4-3-5-13-7-10/h6,9-10,13H,2-5,7-8H2,1H3,(H,14,15,16)
InChIKeyHIVURTPCXFEQHL-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.29
Rot. Bonds5

About 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine

6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 66319233) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
PubChem CID66319233
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
SMILESCCOc1cc(NCC2CCCNC2)ncn1
InChIInChI=1S/C12H20N4O/c1-2-17-12-6-11(15-9-16-12)14-8-10-4-3-5-13-7-10/h6,9-10,13H,2-5,7-8H2,1H3,(H,14,15,16)
InChIKeyHIVURTPCXFEQHL-UHFFFAOYSA-N
XLogP1.29
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 66569692
6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 86318064
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465
N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine
CID 106128479
4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 112634792
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319236
3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66331001
4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526419
6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 66319466
6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine
CID 66329019
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 66569768
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine (CID 66319233) is 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine is CCOc1cc(NCC2CCCNC2)ncn1.
What is the InChIKey of 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is HIVURTPCXFEQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-17-12-6-11(15-9-16-12)14-8-10-4-3-5-13-7-10/h6,9-10,13H,2-5,7-8H2,1H3,(H,14,15,16).
What are the key properties of 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66319233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).