N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

C20H25N3 — CID 19820447

IUPACN-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3/c1-23-16-8-14-21-20(23)22-15-13-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-16H2,1H3,(H,21,22)
InChIKeyKOCZSJHJTCYNGL-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.49
Rot. Bonds5

About N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 19820447) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID19820447
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC NameN-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3/c1-23-16-8-14-21-20(23)22-15-13-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-16H2,1H3,(H,21,22)
InChIKeyKOCZSJHJTCYNGL-UHFFFAOYSA-N
XLogP3.49
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969182
N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969485
N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969484
1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095506
N-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972441
(1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol
CID 122095980
1-methyl-N-[(3-methylphenyl)-phenylmethyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 23328932
N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine
CID 19820500
[1-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]-3-phenylcyclobutyl]methanol
CID 122095709
N-[(4-iodophenyl)-phenylmethyl]-1-methyl-4,5,6,7-tetrahydro-1,3-diazepin-2-amine;hydroiodide
CID 70591359
N-[2-(2-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969157
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (CID 19820447) is N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is CN1CCCN=C1NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is KOCZSJHJTCYNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-23-16-8-14-21-20(23)22-15-13-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-16H2,1H3,(H,21,22).
What are the key properties of N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 307.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 19820447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).