N-(3,3-diphenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C19H23N3 — CID 19820454

IUPACN-(3,3-diphenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1ccc(C(CCNC2=NCCCN2)c2ccccc2)cc1
InChIInChI=1S/C19H23N3/c1-3-8-16(9-4-1)18(17-10-5-2-6-11-17)12-15-22-19-20-13-7-14-21-19/h1-6,8-11,18H,7,12-15H2,(H2,20,21,22)
InChIKeyDTXAIDHENVJXID-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.15
Rot. Bonds5

About N-(3,3-diphenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine

N-(3,3-diphenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 19820454) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID19820454
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC NameN-(3,3-diphenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1ccc(C(CCNC2=NCCCN2)c2ccccc2)cc1
InChIInChI=1S/C19H23N3/c1-3-8-16(9-4-1)18(17-10-5-2-6-11-17)12-15-22-19-20-13-7-14-21-19/h1-6,8-11,18H,7,12-15H2,(H2,20,21,22)
InChIKeyDTXAIDHENVJXID-UHFFFAOYSA-N
XLogP3.15
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dibenzylguanidine
CID 33142
5-Phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 3061021
N-(2,2-diphenylethyl)-1-3-[3-({3-[(3-{N-[3-(2,2-diphenylethyl)carbamimidamidomethanimidoyl]amino}propyl)amino]propyl}amino)propyl]carbamimidamidomethanimidamide
CID 16047278
N-(2,2-diphenylethyl)-1-3-[3-({7-[(3-{N-[3-(2,2-diphenylethyl)carbamimidamidomethanimidoyl]amino}propyl)amino]heptyl}amino)propyl]carbamimidamidomethanimidamide
CID 16047279
1-(3,3-diphenylpropyl)-3-[N-[3-[7-[3-[[N-[N-(3,3-diphenylpropyl)carbamimidoyl]carbamimidoyl]amino]propylamino]heptylamino]propyl]carbamimidoyl]guanidine
CID 16047280
N-(3,3-diphenylpropyl)-1-3-[3-({4-[(3-{N-[3-(3,3-diphenylpropyl)carbamimidamidomethanimidoyl]amino}propyl)amino]butyl}amino)propyl]carbamimidamidomethanimidamide
CID 16047389
2-(2,2-diphenylethyl)-1-[3-[7-[3-[[N'-(2,2-diphenylethyl)carbamimidoyl]amino]propylamino]heptylamino]propyl]guanidine
CID 16048003
2-[3-[7-[3-[[Amino-(3,3-diphenylpropylamino)methylidene]amino]propylamino]heptylamino]propyl]-1-(3,3-diphenylpropyl)guanidine
CID 44412091
2-benzyl-1-[3-[7-[3-[(N'-benzylcarbamimidoyl)amino]propylamino]heptylamino]propyl]guanidine
CID 15605637
2-benzyl-1-[6-[(N'-benzyl-N-ethylcarbamimidoyl)amino]hexyl]-3-ethylguanidine;hydroiodide
CID 44531634
1,2,3-Tribenzylguanidine
CID 33144
2-(2,2-Diphenyl ethyl)-2-imidazoline
CID 12632114

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-(3,3-diphenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 19820454) is N-(3,3-diphenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-(3,3-diphenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-(3,3-diphenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine is c1ccc(C(CCNC2=NCCCN2)c2ccccc2)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is DTXAIDHENVJXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-3-8-16(9-4-1)18(17-10-5-2-6-11-17)12-15-22-19-20-13-7-14-21-19/h1-6,8-11,18H,7,12-15H2,(H2,20,21,22).
What are the key properties of N-(3,3-diphenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
N-(3,3-diphenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 293.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 19820454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).