N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C14H18N6O — CID 110936875

IUPACN-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1ccc(-c2n[nH]c(CNC3=NCCCN3)n2)cc1
InChIInChI=1S/C14H18N6O/c1-21-11-5-3-10(4-6-11)13-18-12(19-20-13)9-17-14-15-7-2-8-16-14/h3-6H,2,7-9H2,1H3,(H2,15,16,17)(H,18,19,20)
InChIKeyUCQPMKPAAQHHFH-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.92
Rot. Bonds4

About N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110936875) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110936875
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1ccc(-c2n[nH]c(CNC3=NCCCN3)n2)cc1
InChIInChI=1S/C14H18N6O/c1-21-11-5-3-10(4-6-11)13-18-12(19-20-13)9-17-14-15-7-2-8-16-14/h3-6H,2,7-9H2,1H3,(H2,15,16,17)(H,18,19,20)
InChIKeyUCQPMKPAAQHHFH-UHFFFAOYSA-N
XLogP0.92
TPSA87.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine with MolForge

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Related Compounds

4-methoxy-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]aniline
CID 43840001
N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112673
N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112672
N-[(2-bromo-5-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112857
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918334
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119319176
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56524427
1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide
CID 119319187
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119319162
2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110927517
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112763
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914500

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110936875) is N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is COc1ccc(-c2n[nH]c(CNC3=NCCCN3)n2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is UCQPMKPAAQHHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-21-11-5-3-10(4-6-11)13-18-12(19-20-13)9-17-14-15-7-2-8-16-14/h3-6H,2,7-9H2,1H3,(H2,15,16,17)(H,18,19,20).
What are the key properties of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 286.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110936875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).