N-[1-(1H-benzimidazol-2-yl)propyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine

C20H27N5O — CID 133401186

IUPACN-[1-(1H-benzimidazol-2-yl)propyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCC(Nc1cc(COC)nc(C(C)(C)C)n1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H27N5O/c1-6-14(18-23-15-9-7-8-10-16(15)24-18)22-17-11-13(12-26-5)21-19(25-17)20(2,3)4/h7-11,14H,6,12H2,1-5H3,(H,23,24)(H,21,22,25)
InChIKeyFWRZUWXZRABQGE-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.36
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)propyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine

N-[1-(1H-benzimidazol-2-yl)propyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 133401186) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)propyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)propyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID133401186
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[1-(1H-benzimidazol-2-yl)propyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCC(Nc1cc(COC)nc(C(C)(C)C)n1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H27N5O/c1-6-14(18-23-15-9-7-8-10-16(15)24-18)22-17-11-13(12-26-5)21-19(25-17)20(2,3)4/h7-11,14H,6,12H2,1-5H3,(H,23,24)(H,21,22,25)
InChIKeyFWRZUWXZRABQGE-UHFFFAOYSA-N
XLogP4.36
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
CID 133402394
2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133412053
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-tert-butylpyrimidin-4-amine
CID 133345327
N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide
CID 95175043
N-[1-(1H-benzimidazol-2-yl)propyl]-4-nitroaniline
CID 133448302
N-[1-(1H-benzimidazol-2-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133286685
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 133402202
2-tert-butyl-N-[[4-(difluoromethyl)phenyl]methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133474597
2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine
CID 133402371
2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133477462
N-[1-(1H-benzimidazol-2-yl)propyl]-2-(2-methoxyphenoxy)acetamide
CID 56824045

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)propyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)propyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine (CID 133401186) is N-[1-(1H-benzimidazol-2-yl)propyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)propyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)propyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine is CCC(Nc1cc(COC)nc(C(C)(C)C)n1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)propyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is FWRZUWXZRABQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-6-14(18-23-15-9-7-8-10-16(15)24-18)22-17-11-13(12-26-5)21-19(25-17)20(2,3)4/h7-11,14H,6,12H2,1-5H3,(H,23,24)(H,21,22,25).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)propyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine?
N-[1-(1H-benzimidazol-2-yl)propyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)propyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 133401186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).