5-[3-(methylamino)propoxy]pyrimidin-2-amine

C8H14N4O — CID 117231268

IUPAC5-[3-(methylamino)propoxy]pyrimidin-2-amine
SMILESCNCCCOc1cnc(N)nc1
InChIInChI=1S/C8H14N4O/c1-10-3-2-4-13-7-5-11-8(9)12-6-7/h5-6,10H,2-4H2,1H3,(H2,9,11,12)
InChIKeyKVWNMHRUQVKVGA-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.05
Rot. Bonds5

About 5-[3-(methylamino)propoxy]pyrimidin-2-amine

5-[3-(methylamino)propoxy]pyrimidin-2-amine (PubChem CID 117231268) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-[3-(methylamino)propoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-(methylamino)propoxy]pyrimidin-2-amine
PubChem CID117231268
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-[3-(methylamino)propoxy]pyrimidin-2-amine
SMILESCNCCCOc1cnc(N)nc1
InChIInChI=1S/C8H14N4O/c1-10-3-2-4-13-7-5-11-8(9)12-6-7/h5-6,10H,2-4H2,1H3,(H2,9,11,12)
InChIKeyKVWNMHRUQVKVGA-UHFFFAOYSA-N
XLogP0.05
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine
CID 117231271
N-methyl-3-[2-(4-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
CID 117231256
5-(2-aminoethoxy)pyrimidin-2-amine
CID 117229813
N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
CID 117231244
5-(2-methylsulfanylethoxy)pyrimidin-2-amine
CID 58339653
N-methyl-3-phenoxypropan-1-amine
CID 22067856
3-[(5-methoxy-3-pyridinyl)oxy]-N-methylpropan-1-amine
CID 10176531
3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010528
4-[(6-ethyl-3-pyridinyl)oxy]-N-methylbutan-1-amine
CID 145261843
2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine
CID 162753112
3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol
CID 117231253
3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine
CID 70876394

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)propoxy]pyrimidin-2-amine?
The IUPAC name of 5-[3-(methylamino)propoxy]pyrimidin-2-amine (CID 117231268) is 5-[3-(methylamino)propoxy]pyrimidin-2-amine.
What is the SMILES notation for 5-[3-(methylamino)propoxy]pyrimidin-2-amine?
The canonical SMILES for 5-[3-(methylamino)propoxy]pyrimidin-2-amine is CNCCCOc1cnc(N)nc1.
What is the InChIKey of 5-[3-(methylamino)propoxy]pyrimidin-2-amine?
The InChIKey is KVWNMHRUQVKVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-10-3-2-4-13-7-5-11-8(9)12-6-7/h5-6,10H,2-4H2,1H3,(H2,9,11,12).
What are the key properties of 5-[3-(methylamino)propoxy]pyrimidin-2-amine?
5-[3-(methylamino)propoxy]pyrimidin-2-amine has a molecular weight of 182.23 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylamino)propoxy]pyrimidin-2-amine is sourced from PubChem (CID 117231268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).