2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine

C18H21N5 — CID 133304089

IUPAC2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCCn1c(CCNc2ccnc(C3CC3)n2)nc2ccccc21
InChIInChI=1S/C18H21N5/c1-2-23-15-6-4-3-5-14(15)21-17(23)10-12-19-16-9-11-20-18(22-16)13-7-8-13/h3-6,9,11,13H,2,7-8,10,12H2,1H3,(H,19,20,22)
InChIKeyFGHLCVWIEUFLNU-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.38
Rot. Bonds6

About 2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine

2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 133304089) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID133304089
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCCn1c(CCNc2ccnc(C3CC3)n2)nc2ccccc21
InChIInChI=1S/C18H21N5/c1-2-23-15-6-4-3-5-14(15)21-17(23)10-12-19-16-9-11-20-18(22-16)13-7-8-13/h3-6,9,11,13H,2,7-8,10,12H2,1H3,(H,19,20,22)
InChIKeyFGHLCVWIEUFLNU-UHFFFAOYSA-N
XLogP3.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135109990
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]quinazolin-4-amine
CID 133277373
3-[2-(1-ethylbenzimidazol-2-yl)ethylamino]pyrazine-2-carbonitrile
CID 133284481
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)pyrazin-2-amine
CID 167819928
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
1-ethyl-2-pentylbenzimidazole
CID 3463966
(1-ethylbenzimidazol-2-yl)methylazanium chloride
CID 139581059
1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine
CID 79757596
2-cyclopropyl-1-methylbenzimidazole;(2-cyclopropylpyrimidin-4-yl)hydrazine
CID 144628437

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine (CID 133304089) is 2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine is CCn1c(CCNc2ccnc(C3CC3)n2)nc2ccccc21.
What is the InChIKey of 2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is FGHLCVWIEUFLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-23-15-6-4-3-5-14(15)21-17(23)10-12-19-16-9-11-20-18(22-16)13-7-8-13/h3-6,9,11,13H,2,7-8,10,12H2,1H3,(H,19,20,22).
What are the key properties of 2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine?
2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 133304089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).