N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]morpholin-4-amine

C15H16N6O — CID 129086082

IUPACN-[4-(benzimidazol-1-yl)pyrimidin-2-yl]morpholin-4-amine
SMILESc1ccc2c(c1)ncn2-c1ccnc(NN2CCOCC2)n1
InChIInChI=1S/C15H16N6O/c1-2-4-13-12(3-1)17-11-21(13)14-5-6-16-15(18-14)19-20-7-9-22-10-8-20/h1-6,11H,7-10H2,(H,16,18,19)
InChIKeyJHMIOFLCEHMYJG-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.47
Rot. Bonds3

About N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]morpholin-4-amine

N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]morpholin-4-amine (PubChem CID 129086082) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]morpholin-4-amine.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)pyrimidin-2-yl]morpholin-4-amine
PubChem CID129086082
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC NameN-[4-(benzimidazol-1-yl)pyrimidin-2-yl]morpholin-4-amine
SMILESc1ccc2c(c1)ncn2-c1ccnc(NN2CCOCC2)n1
InChIInChI=1S/C15H16N6O/c1-2-4-13-12(3-1)17-11-21(13)14-5-6-16-15(18-14)19-20-7-9-22-10-8-20/h1-6,11H,7-10H2,(H,16,18,19)
InChIKeyJHMIOFLCEHMYJG-UHFFFAOYSA-N
XLogP1.47
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Lanraplenib
CID 118161062
T-808
CID 53339381
1-Methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine
CID 10220948
2-Anilino-4-(imidazo[1,2-a]pyrid-3-yl)pyrimidine
CID 6539022
5-(2-Morpholin-4-Yl-7-Pyridin-3-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine
CID 24889936
3-ethyl-5-(piperazin-1-yl)-N-(pyridin-2-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11554196
N-[1-(2-ethoxyethyl)-3-ethyl-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]pyridin-2-amine
CID 11560313
1-(2-ethoxyethyl)-3-methyl-5-(piperazin-1-yl)-N-(pyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11682414
1-(2-ethoxyethyl)-3-ethyl-N-phenyl-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46888519
3-(Benzotriazol-1-Yl)-5-[1-Methyl-5-[(1~{s})-1-Morpholin-4-Ylethyl]-1,2,4-Triazol-3-Yl]pyrazin-2-Amine
CID 126480568
(S)-3-(2-(1-methoxypropan-2-ylamino)pyridin-4-yl)-2-phenylimidazo[1,2-a]pyrimidin-7-amine
CID 44344609
3-ethyl-5-(piperazin-1-yl)-1-(2-propoxyethyl)-N-(pyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46887483

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]morpholin-4-amine?
The IUPAC name of N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]morpholin-4-amine (CID 129086082) is N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]morpholin-4-amine.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]morpholin-4-amine?
The canonical SMILES for N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]morpholin-4-amine is c1ccc2c(c1)ncn2-c1ccnc(NN2CCOCC2)n1.
What is the InChIKey of N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]morpholin-4-amine?
The InChIKey is JHMIOFLCEHMYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-2-4-13-12(3-1)17-11-21(13)14-5-6-16-15(18-14)19-20-7-9-22-10-8-20/h1-6,11H,7-10H2,(H,16,18,19).
What are the key properties of N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]morpholin-4-amine?
N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]morpholin-4-amine has a molecular weight of 296.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]morpholin-4-amine is sourced from PubChem (CID 129086082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).