N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine

C21H30N4O2 — CID 68781049

IUPACN-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine
SMILESCCOc1cc(CN2CCC(Nc3ncc(CC)cn3)CC2)ccc1OC
InChIInChI=1S/C21H30N4O2/c1-4-16-13-22-21(23-14-16)24-18-8-10-25(11-9-18)15-17-6-7-19(26-3)20(12-17)27-5-2/h6-7,12-14,18H,4-5,8-11,15H2,1-3H3,(H,22,23,24)
InChIKeyRWKCPFZFHPFDEC-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.52
Rot. Bonds8

About N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine

N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine (PubChem CID 68781049) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine
PubChem CID68781049
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine
SMILESCCOc1cc(CN2CCC(Nc3ncc(CC)cn3)CC2)ccc1OC
InChIInChI=1S/C21H30N4O2/c1-4-16-13-22-21(23-14-16)24-18-8-10-25(11-9-18)15-17-6-7-19(26-3)20(12-17)27-5-2/h6-7,12-14,18H,4-5,8-11,15H2,1-3H3,(H,22,23,24)
InChIKeyRWKCPFZFHPFDEC-UHFFFAOYSA-N
XLogP3.52
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine?
The IUPAC name of N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine (CID 68781049) is N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine?
The canonical SMILES for N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine is CCOc1cc(CN2CCC(Nc3ncc(CC)cn3)CC2)ccc1OC.
What is the InChIKey of N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine?
The InChIKey is RWKCPFZFHPFDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-4-16-13-22-21(23-14-16)24-18-8-10-25(11-9-18)15-17-6-7-19(26-3)20(12-17)27-5-2/h6-7,12-14,18H,4-5,8-11,15H2,1-3H3,(H,22,23,24).
What are the key properties of N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine?
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine has a molecular weight of 370.50 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine is sourced from PubChem (CID 68781049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).