4-ethoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine

C15H26N4O — CID 106643233

IUPAC4-ethoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCCOc1ccnc(N(CC2CCCNC2)C(C)C)n1
InChIInChI=1S/C15H26N4O/c1-4-20-14-7-9-17-15(18-14)19(12(2)3)11-13-6-5-8-16-10-13/h7,9,12-13,16H,4-6,8,10-11H2,1-3H3
InChIKeyZPRKAJMBNSXANX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.09
Rot. Bonds6

About 4-ethoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine

4-ethoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 106643233) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-ethoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
PubChem CID106643233
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-ethoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCCOc1ccnc(N(CC2CCCNC2)C(C)C)n1
InChIInChI=1S/C15H26N4O/c1-4-20-14-7-9-17-15(18-14)19(12(2)3)11-13-6-5-8-16-10-13/h7,9,12-13,16H,4-6,8,10-11H2,1-3H3
InChIKeyZPRKAJMBNSXANX-UHFFFAOYSA-N
XLogP2.09
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
CID 106643074
N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazin-2-amine
CID 106643250
6-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106643185
6-ethoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 79719565
5-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106642977
2-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-3-amine
CID 106643092
3-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106643160
N-(piperidin-3-ylmethyl)-N-propan-2-yl-6-propylpyrimidin-4-amine
CID 106643142
6-methyl-N-(piperidin-3-ylmethyl)-N,2-di(propan-2-yl)pyrimidin-4-amine
CID 106643134
3-[(4-ethoxypyrimidin-2-yl)-propan-2-ylamino]propanoic acid
CID 112635997
4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136805343
N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637770

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine (CID 106643233) is 4-ethoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine is CCOc1ccnc(N(CC2CCCNC2)C(C)C)n1.
What is the InChIKey of 4-ethoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is ZPRKAJMBNSXANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-20-14-7-9-17-15(18-14)19(12(2)3)11-13-6-5-8-16-10-13/h7,9,12-13,16H,4-6,8,10-11H2,1-3H3.
What are the key properties of 4-ethoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine?
4-ethoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 106643233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).