N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine

C12H17N5O — CID 112551949

IUPACN-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCCCCn2ccnc2)n1
InChIInChI=1S/C12H17N5O/c1-18-11-4-6-15-12(16-11)14-5-2-3-8-17-9-7-13-10-17/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,14,15,16)
InChIKeyLLESMZNPWPMMMT-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.57
Rot. Bonds7

About N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine

N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine (PubChem CID 112551949) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine
PubChem CID112551949
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCCCCn2ccnc2)n1
InChIInChI=1S/C12H17N5O/c1-18-11-4-6-15-12(16-11)14-5-2-3-8-17-9-7-13-10-17/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,14,15,16)
InChIKeyLLESMZNPWPMMMT-UHFFFAOYSA-N
XLogP1.57
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carboxylic acid
CID 107553286
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543580
4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
CID 115637365
4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine
CID 78818903
4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine
CID 55124703
N-(2-imidazol-1-ylethyl)-6-methoxypyridin-2-amine
CID 63590047
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437
4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80809698
N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106565958
5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine
CID 113434060
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine (CID 112551949) is N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine is COc1ccnc(NCCCCn2ccnc2)n1.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine?
The InChIKey is LLESMZNPWPMMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-18-11-4-6-15-12(16-11)14-5-2-3-8-17-9-7-13-10-17/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,14,15,16).
What are the key properties of N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine?
N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 112551949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).