N,N-dimethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine

C16H21N3O — CID 118723002

IUPACN,N-dimethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine
SMILESCc1cc(OCCCN(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-13-12-15(20-11-7-10-19(2)3)18-16(17-13)14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11H2,1-3H3
InChIKeyHMQTYWAJZQBKLI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.78
Rot. Bonds6

About N,N-dimethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine

N,N-dimethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine (PubChem CID 118723002) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N,N-dimethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine
PubChem CID118723002
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN,N-dimethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine
SMILESCc1cc(OCCCN(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-13-12-15(20-11-7-10-19(2)3)18-16(17-13)14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11H2,1-3H3
InChIKeyHMQTYWAJZQBKLI-UHFFFAOYSA-N
XLogP2.78
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine?
The IUPAC name of N,N-dimethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine (CID 118723002) is N,N-dimethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine is Cc1cc(OCCCN(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of N,N-dimethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine?
The InChIKey is HMQTYWAJZQBKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-12-15(20-11-7-10-19(2)3)18-16(17-13)14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine?
N,N-dimethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine is sourced from PubChem (CID 118723002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).