N-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C16H26N4 — CID 110916261

IUPACN-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCCN(CC)Cc1cccc(CNC2=NCCCN2)c1
InChIInChI=1S/C16H26N4/c1-3-20(4-2)13-15-8-5-7-14(11-15)12-19-16-17-9-6-10-18-16/h5,7-8,11H,3-4,6,9-10,12-13H2,1-2H3,(H2,17,18,19)
InChIKeyVLBQLLYKBDAZSZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.97
Rot. Bonds6

About N-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110916261) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110916261
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCCN(CC)Cc1cccc(CNC2=NCCCN2)c1
InChIInChI=1S/C16H26N4/c1-3-20(4-2)13-15-8-5-7-14(11-15)12-19-16-17-9-6-10-18-16/h5,7-8,11H,3-4,6,9-10,12-13H2,1-2H3,(H2,17,18,19)
InChIKeyVLBQLLYKBDAZSZ-UHFFFAOYSA-N
XLogP1.97
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110917931
N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913998
3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide
CID 119112709
N-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide
CID 110918662
N-ethyl-N-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]ethanamine
CID 82244191
N-[(3-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111425029
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111414845
N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide
CID 110916589
1-[[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one;hydroiodide
CID 110915322
2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110935572
N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 110914967
N-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110935266

Frequently Asked Questions

What is the IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110916261) is N-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is CCN(CC)Cc1cccc(CNC2=NCCCN2)c1.
What is the InChIKey of N-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is VLBQLLYKBDAZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-20(4-2)13-15-8-5-7-14(11-15)12-19-16-17-9-6-10-18-16/h5,7-8,11H,3-4,6,9-10,12-13H2,1-2H3,(H2,17,18,19).
What are the key properties of N-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 274.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110916261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).