5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine

C14H26N4O — CID 102536280

IUPAC5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine
SMILESCCCCOCCCNCc1cnc(NCC)nc1
InChIInChI=1S/C14H26N4O/c1-3-5-8-19-9-6-7-15-10-13-11-17-14(16-4-2)18-12-13/h11-12,15H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyNMEVHQZAJJPNBS-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.20
Rot. Bonds11

About 5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine

5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine (PubChem CID 102536280) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine
PubChem CID102536280
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine
SMILESCCCCOCCCNCc1cnc(NCC)nc1
InChIInChI=1S/C14H26N4O/c1-3-5-8-19-9-6-7-15-10-13-11-17-14(16-4-2)18-12-13/h11-12,15H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyNMEVHQZAJJPNBS-UHFFFAOYSA-N
XLogP2.20
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.20
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

5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine
CID 102536146
3-butoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine
CID 102536018
N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine
CID 102536247
3-[[2-(ethylamino)pyrimidin-5-yl]methylamino]propanoic acid
CID 102536297
3-butoxy-N-[(3,4-dichlorophenyl)methyl]propan-1-amine
CID 17207813
N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
CID 102536258
3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 115606779
2-[3-[(4-butoxyphenyl)methylamino]propoxy]ethanol
CID 103992724
3-butoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 113234781
5-[(octylamino)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 102536334
3-butoxy-N-[(3,5-dichloro-4-propoxyphenyl)methyl]propan-1-amine
CID 29223105
5-bromo-4-(2-butoxyethoxy)-N-ethylpyrimidin-2-amine
CID 80861009

Frequently Asked Questions

What is the IUPAC name of 5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine (CID 102536280) is 5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine is CCCCOCCCNCc1cnc(NCC)nc1.
What is the InChIKey of 5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine?
The InChIKey is NMEVHQZAJJPNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-5-8-19-9-6-7-15-10-13-11-17-14(16-4-2)18-12-13/h11-12,15H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine?
5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine has a molecular weight of 266.39 g/mol, XLogP of 2.20, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 102536280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).