N-ethyl-5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]pyrimidin-2-amine

C19H26N4O2 — CID 56875000

IUPACN-ethyl-5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]pyrimidin-2-amine
SMILESCCNc1ncc(CN2CCOC(Cc3cccc(OC)c3)C2)cn1
InChIInChI=1S/C19H26N4O2/c1-3-20-19-21-11-16(12-22-19)13-23-7-8-25-18(14-23)10-15-5-4-6-17(9-15)24-2/h4-6,9,11-12,18H,3,7-8,10,13-14H2,1-2H3,(H,20,21,22)
InChIKeyWXGPBWRBHYVKDZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.36
Rot. Bonds7

About N-ethyl-5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]pyrimidin-2-amine

N-ethyl-5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]pyrimidin-2-amine (PubChem CID 56875000) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-ethyl-5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]pyrimidin-2-amine
PubChem CID56875000
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-ethyl-5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]pyrimidin-2-amine
SMILESCCNc1ncc(CN2CCOC(Cc3cccc(OC)c3)C2)cn1
InChIInChI=1S/C19H26N4O2/c1-3-20-19-21-11-16(12-22-19)13-23-7-8-25-18(14-23)10-15-5-4-6-17(9-15)24-2/h4-6,9,11-12,18H,3,7-8,10,13-14H2,1-2H3,(H,20,21,22)
InChIKeyWXGPBWRBHYVKDZ-UHFFFAOYSA-N
XLogP2.36
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]pyrimidin-2-amine (CID 56875000) is N-ethyl-5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]pyrimidin-2-amine is CCNc1ncc(CN2CCOC(Cc3cccc(OC)c3)C2)cn1.
What is the InChIKey of N-ethyl-5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]pyrimidin-2-amine?
The InChIKey is WXGPBWRBHYVKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-20-19-21-11-16(12-22-19)13-23-7-8-25-18(14-23)10-15-5-4-6-17(9-15)24-2/h4-6,9,11-12,18H,3,7-8,10,13-14H2,1-2H3,(H,20,21,22).
What are the key properties of N-ethyl-5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]pyrimidin-2-amine?
N-ethyl-5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]pyrimidin-2-amine has a molecular weight of 342.44 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 56875000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).