2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine

C20H27N3O2 — CID 133412619

IUPAC2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NC2CCc3c(OC)cccc32)nc(C(C)(C)C)n1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)19-21-13(12-24-4)11-18(23-19)22-16-10-9-15-14(16)7-6-8-17(15)25-5/h6-8,11,16H,9-10,12H2,1-5H3,(H,21,22,23)
InChIKeyJNXSDBVYJJXPKZ-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.03
Rot. Bonds5

About 2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine

2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 133412619) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID133412619
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NC2CCc3c(OC)cccc32)nc(C(C)(C)C)n1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)19-21-13(12-24-4)11-18(23-19)22-16-10-9-15-14(16)7-6-8-17(15)25-5/h6-8,11,16H,9-10,12H2,1-5H3,(H,21,22,23)
InChIKeyJNXSDBVYJJXPKZ-UHFFFAOYSA-N
XLogP4.03
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyrazin-2-amine
CID 133361794
[2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol
CID 133412384
2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine
CID 133402718
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
2-tert-butyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133401655
3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 133402560
2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133412075
[1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133361728
2-tert-butyl-6-(methoxymethyl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrimidin-4-amine
CID 133401023
3-chloro-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-2-amine
CID 133361766
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 133361642
2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133401633

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine (CID 133412619) is 2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(NC2CCc3c(OC)cccc32)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is JNXSDBVYJJXPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-20(2,3)19-21-13(12-24-4)11-18(23-19)22-16-10-9-15-14(16)7-6-8-17(15)25-5/h6-8,11,16H,9-10,12H2,1-5H3,(H,21,22,23).
What are the key properties of 2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine?
2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 341.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 133412619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).