6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine

C26H29N5O — CID 46958545

IUPAC6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(CCc2nc3ccccc3[nH]2)cc(NCC2(c3ccccc3)CCOCC2)n1
InChIInChI=1S/C26H29N5O/c1-19-28-21(11-12-24-30-22-9-5-6-10-23(22)31-24)17-25(29-19)27-18-26(13-15-32-16-14-26)20-7-3-2-4-8-20/h2-10,17H,11-16,18H2,1H3,(H,30,31)(H,27,28,29)
InChIKeySEXGNCJLQWPWMK-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.61
Rot. Bonds7

About 6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine

6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine (PubChem CID 46958545) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine
PubChem CID46958545
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(CCc2nc3ccccc3[nH]2)cc(NCC2(c3ccccc3)CCOCC2)n1
InChIInChI=1S/C26H29N5O/c1-19-28-21(11-12-24-30-22-9-5-6-10-23(22)31-24)17-25(29-19)27-18-26(13-15-32-16-14-26)20-7-3-2-4-8-20/h2-10,17H,11-16,18H2,1H3,(H,30,31)(H,27,28,29)
InChIKeySEXGNCJLQWPWMK-UHFFFAOYSA-N
XLogP4.61
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine with MolForge

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Related Compounds

N'-[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 110225679
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6-(2-indazol-1-ylethyl)-2-methylpyrimidin-4-amine
CID 46958532
2-[[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 46980189
6-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]pyrimidin-4-amine
CID 95833309
N-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133460793
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine
CID 133482369
6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133291402
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 47880329
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine
CID 134713026
2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 133489669
N-[5-(1H-benzimidazol-2-yl)pentyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 71825902
3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide
CID 118760643

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine (CID 46958545) is 6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine is Cc1nc(CCc2nc3ccccc3[nH]2)cc(NCC2(c3ccccc3)CCOCC2)n1.
What is the InChIKey of 6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is SEXGNCJLQWPWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-19-28-21(11-12-24-30-22-9-5-6-10-23(22)31-24)17-25(29-19)27-18-26(13-15-32-16-14-26)20-7-3-2-4-8-20/h2-10,17H,11-16,18H2,1H3,(H,30,31)(H,27,28,29).
What are the key properties of 6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine?
6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 427.55 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 46958545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).