N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine

C17H23N3O — CID 62795433

IUPACN-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(OCCC)cc1)c1ncccn1
InChIInChI=1S/C17H23N3O/c1-3-10-18-16(17-19-11-5-12-20-17)14-6-8-15(9-7-14)21-13-4-2/h5-9,11-12,16,18H,3-4,10,13H2,1-2H3
InChIKeyKBEPGJUNALDJLU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.35
Rot. Bonds8

About N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine

N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine (PubChem CID 62795433) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine
PubChem CID62795433
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(OCCC)cc1)c1ncccn1
InChIInChI=1S/C17H23N3O/c1-3-10-18-16(17-19-11-5-12-20-17)14-6-8-15(9-7-14)21-13-4-2/h5-9,11-12,16,18H,3-4,10,13H2,1-2H3
InChIKeyKBEPGJUNALDJLU-UHFFFAOYSA-N
XLogP3.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 62790717
N-[(4-propoxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 65360258
N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine
CID 62796820
2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 62540693
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 60818747
N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43495177
N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105095268
[(5-methylpyrimidin-2-yl)-(4-propoxyphenyl)methyl]hydrazine
CID 105261658
1-(3-ethyl-2-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 82732624
2-methoxy-1-(4-propoxyphenyl)-N-propylpropan-1-amine
CID 79617326
N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62698763

Frequently Asked Questions

What is the IUPAC name of N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine (CID 62795433) is N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine is CCCNC(c1ccc(OCCC)cc1)c1ncccn1.
What is the InChIKey of N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine?
The InChIKey is KBEPGJUNALDJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-10-18-16(17-19-11-5-12-20-17)14-6-8-15(9-7-14)21-13-4-2/h5-9,11-12,16,18H,3-4,10,13H2,1-2H3.
What are the key properties of N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine?
N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 62795433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).