5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

C12H17N3O — CID 70508569

IUPAC5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCOc1ccccc1C1CN=C(N)N(C)C1
InChIInChI=1S/C12H17N3O/c1-15-8-9(7-14-12(15)13)10-5-3-4-6-11(10)16-2/h3-6,9H,7-8H2,1-2H3,(H2,13,14)
InChIKeyZSFHEIHCMDMJQM-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.04
Rot. Bonds2

About 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 70508569) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID70508569
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCOc1ccccc1C1CN=C(N)N(C)C1
InChIInChI=1S/C12H17N3O/c1-15-8-9(7-14-12(15)13)10-5-3-4-6-11(10)16-2/h3-6,9H,7-8H2,1-2H3,(H2,13,14)
InChIKeyZSFHEIHCMDMJQM-UHFFFAOYSA-N
XLogP1.04
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (CID 70508569) is 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is COc1ccccc1C1CN=C(N)N(C)C1.
What is the InChIKey of 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is ZSFHEIHCMDMJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15-8-9(7-14-12(15)13)10-5-3-4-6-11(10)16-2/h3-6,9H,7-8H2,1-2H3,(H2,13,14).
What are the key properties of 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 70508569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).