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

C15H23N3O2 — CID 70509304

IUPAC5-(2,6-diethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCCOc1cccc(OCC)c1C1CN=C(N)N(C)C1
InChIInChI=1S/C15H23N3O2/c1-4-19-12-7-6-8-13(20-5-2)14(12)11-9-17-15(16)18(3)10-11/h6-8,11H,4-5,9-10H2,1-3H3,(H2,16,17)
InChIKeyVQFLTOZEZSBPRV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.83
Rot. Bonds5

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

5-(2,6-diethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 70509304) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-(2,6-diethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,6-diethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID70509304
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-(2,6-diethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCCOc1cccc(OCC)c1C1CN=C(N)N(C)C1
InChIInChI=1S/C15H23N3O2/c1-4-19-12-7-6-8-13(20-5-2)14(12)11-9-17-15(16)18(3)10-11/h6-8,11H,4-5,9-10H2,1-3H3,(H2,16,17)
InChIKeyVQFLTOZEZSBPRV-UHFFFAOYSA-N
XLogP1.83
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-ethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
CID 20546333
5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 79510801
5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 15337813
1-cyclopentyl-5-(2-ethoxyphenyl)-5-methyl-4H-imidazol-2-amine
CID 79502964
3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 59167729
2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol
CID 65244962
2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline
CID 116792382
1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
CID 129259594
1-(2-methoxyphenyl)-5-propyl-4,5-dihydroimidazol-2-amine
CID 79514424
1-ethoxy-5-propan-2-ylnaphthalene
CID 176668059
5-(2-chloro-6-methoxyphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 104819175
5-(2-ethoxyphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
CID 79497892

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 5-(2,6-diethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (CID 70509304) is 5-(2,6-diethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 5-(2,6-diethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 5-(2,6-diethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is CCOc1cccc(OCC)c1C1CN=C(N)N(C)C1.
What is the InChIKey of 5-(2,6-diethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is VQFLTOZEZSBPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-19-12-7-6-8-13(20-5-2)14(12)11-9-17-15(16)18(3)10-11/h6-8,11H,4-5,9-10H2,1-3H3,(H2,16,17).
What are the key properties of 5-(2,6-diethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
5-(2,6-diethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 277.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 70509304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).