N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine

C9H15N3O — CID 123632919

IUPACN,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine
SMILESCN(C)CCCOc1ccncn1
InChIInChI=1S/C9H15N3O/c1-12(2)6-3-7-13-9-4-5-10-8-11-9/h4-5,8H,3,6-7H2,1-2H3
InChIKeySSZFTTJYUHTZCK-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.81
Rot. Bonds5

About N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine

N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine (PubChem CID 123632919) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine
PubChem CID123632919
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine
SMILESCN(C)CCCOc1ccncn1
InChIInChI=1S/C9H15N3O/c1-12(2)6-3-7-13-9-4-5-10-8-11-9/h4-5,8H,3,6-7H2,1-2H3
InChIKeySSZFTTJYUHTZCK-UHFFFAOYSA-N
XLogP0.81
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.81
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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Related Compounds

4-propoxypyrimidine
CID 23198177
3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
CID 175720817
3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 81234059
3-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 61269544
4-[3-(dimethylamino)propoxy]pyrimidin-5-amine
CID 79919093
N,N-dimethyl-3-(pyrimidin-4-yloxymethyl)pyridin-2-amine
CID 117061452
4-[3-(dimethylamino)propoxy]benzaldehyde;pyridine-4-carbaldehyde
CID 158129131
3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 146089357
4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid
CID 81225280
4-pent-2-ynoxypyrimidine
CID 91219965
6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile
CID 64593617
3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 126471087

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine?
The IUPAC name of N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine (CID 123632919) is N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine is CN(C)CCCOc1ccncn1.
What is the InChIKey of N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine?
The InChIKey is SSZFTTJYUHTZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12(2)6-3-7-13-9-4-5-10-8-11-9/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine?
N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine has a molecular weight of 181.24 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine is sourced from PubChem (CID 123632919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).