5-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine

C10H13N3 — CID 3061021

IUPAC5-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCC(c2ccccc2)CN1
InChIInChI=1S/C10H13N3/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H3,11,12,13)
InChIKeyBOTTZUQJTYCKHU-UHFFFAOYSA-N
MW175.24 g/mol
LogP0.69
Rot. Bonds1

About 5-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine

5-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 3061021) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 5-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name5-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID3061021
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name5-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCC(c2ccccc2)CN1
InChIInChI=1S/C10H13N3/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H3,11,12,13)
InChIKeyBOTTZUQJTYCKHU-UHFFFAOYSA-N
XLogP0.69
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bethanidine
CID 2368
Carbamic acid, (1,4,5,6-tetrahydro-5-phenyl-2-pyrimidinyl)-, methyl ester
CID 54212
1-(Guanidino)-17-(N1-(benzyl)guanidino)-9-azaheptadecane tris(trifluoroacetate)
CID 44221519
1,2-Dibenzylguanidine
CID 33142
1-(2-Phenylethyl)-4,5-dihydroimidazol-2-amine
CID 17928801
[5-(2-Phenylethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]cyanamide
CID 663558
5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10537295
(2,2-Diphenyl-ethyl)-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-amine
CID 19820445
(4,5-Dihydro-1H-imidazol-2-yl)-(3,3-diphenyl-propyl)-amine
CID 19820446
(3,3-Diphenyl-propyl)-(1-methyl-1,4,5,6-tetrahydro-pyrimidin-2-yl)-amine
CID 19820447
(3,3-Diphenyl-propyl)-((E)-1,4,5,6,7,8-hexahydro-[1,3]diazocin-2-yl)-amine
CID 19820448
(3,3-Diphenyl-propyl)-(1,4,5,6-tetrahydro-pyrimidin-2-yl)-amine
CID 19820454

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 5-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine (CID 3061021) is 5-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 5-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 5-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine is NC1=NCC(c2ccccc2)CN1.
What is the InChIKey of 5-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is BOTTZUQJTYCKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H3,11,12,13).
What are the key properties of 5-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine?
5-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 175.24 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 3061021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).