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

C10H13N3 — CID 13034515

IUPAC6-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCCC(c2ccccc2)N1
InChIInChI=1S/C10H13N3/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H3,11,12,13)
InChIKeyMSTVJZDLSATUQJ-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.04
Rot. Bonds1

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

6-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 13034515) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 6-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name6-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID13034515
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name6-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCCC(c2ccccc2)N1
InChIInChI=1S/C10H13N3/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H3,11,12,13)
InChIKeyMSTVJZDLSATUQJ-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 6-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine (CID 13034515) is 6-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 6-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 6-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine is NC1=NCCC(c2ccccc2)N1.
What is the InChIKey of 6-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is MSTVJZDLSATUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H3,11,12,13).
What are the key properties of 6-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine?
6-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 175.24 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 13034515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).