N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine

C18H23N5O — CID 133475431

IUPACN-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCCn1c(C(C)Nc2cc(C)nc(COC)n2)nc2ccccc21
InChIInChI=1S/C18H23N5O/c1-5-23-15-9-7-6-8-14(15)21-18(23)13(3)20-16-10-12(2)19-17(22-16)11-24-4/h6-10,13H,5,11H2,1-4H3,(H,19,20,22)
InChIKeyMGOOBYXQCQGSCD-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.47
Rot. Bonds6

About N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine

N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine (PubChem CID 133475431) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
PubChem CID133475431
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCCn1c(C(C)Nc2cc(C)nc(COC)n2)nc2ccccc21
InChIInChI=1S/C18H23N5O/c1-5-23-15-9-7-6-8-14(15)21-18(23)13(3)20-16-10-12(2)19-17(22-16)11-24-4/h6-10,13H,5,11H2,1-4H3,(H,19,20,22)
InChIKeyMGOOBYXQCQGSCD-UHFFFAOYSA-N
XLogP3.47
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 133277314
N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-3-(methoxymethyl)benzamide
CID 95233946
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 133277335
5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 139001898
4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide
CID 60597747
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
(2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid
CID 122049534
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876
methyl 2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-2,6-dimethylphenoxy]acetate
CID 119112027
7-ethyl-2-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133277307
(S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 914008

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine (CID 133475431) is N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine is CCn1c(C(C)Nc2cc(C)nc(COC)n2)nc2ccccc21.
What is the InChIKey of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The InChIKey is MGOOBYXQCQGSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-5-23-15-9-7-6-8-14(15)21-18(23)13(3)20-16-10-12(2)19-17(22-16)11-24-4/h6-10,13H,5,11H2,1-4H3,(H,19,20,22).
What are the key properties of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine has a molecular weight of 325.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133475431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).