5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine

C12H22N4O — CID 102536146

IUPAC5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine
SMILESCCCCOCCCNCc1cnc(N)nc1
InChIInChI=1S/C12H22N4O/c1-2-3-6-17-7-4-5-14-8-11-9-15-12(13)16-10-11/h9-10,14H,2-8H2,1H3,(H2,13,15,16)
InChIKeyZKZPOFJTKWUSGW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.36
Rot. Bonds9

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

5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine (PubChem CID 102536146) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine
PubChem CID102536146
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine
SMILESCCCCOCCCNCc1cnc(N)nc1
InChIInChI=1S/C12H22N4O/c1-2-3-6-17-7-4-5-14-8-11-9-15-12(13)16-10-11/h9-10,14H,2-8H2,1H3,(H2,13,15,16)
InChIKeyZKZPOFJTKWUSGW-UHFFFAOYSA-N
XLogP1.36
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.36
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]-N-ethylpyrimidin-2-amine
CID 102536280
3-butoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine
CID 102536018
3-butoxy-N-[(3,4-dichlorophenyl)methyl]propan-1-amine
CID 17207813
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
2-[(3-butoxypropylamino)methyl]aniline
CID 83958629
3-butoxy-N-[(3,5-dichloro-4-propoxyphenyl)methyl]propan-1-amine
CID 29223105
3-butoxy-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17207938
4-[(3-butoxypropylamino)methyl]-2,6-difluorophenol
CID 115680041
3-butoxy-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 115606778
N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine
CID 102881006

Frequently Asked Questions

What is the IUPAC name of 5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine?
The IUPAC name of 5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine (CID 102536146) is 5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine is CCCCOCCCNCc1cnc(N)nc1.
What is the InChIKey of 5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine?
The InChIKey is ZKZPOFJTKWUSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-3-6-17-7-4-5-14-8-11-9-15-12(13)16-10-11/h9-10,14H,2-8H2,1H3,(H2,13,15,16).
What are the key properties of 5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine?
5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine has a molecular weight of 238.33 g/mol, XLogP of 1.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine is sourced from PubChem (CID 102536146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).