[5-[4-(3-tert-butyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]-2-pyridinyl]methanamine

C23H28N4O — CID 67606895

IUPAC[5-[4-(3-tert-butyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]-2-pyridinyl]methanamine
SMILESCC(C)Oc1ccc(-c2ccnc(-c3ccc(CN)nc3)n2)cc1C(C)(C)C
InChIInChI=1S/C23H28N4O/c1-15(2)28-21-9-7-16(12-19(21)23(3,4)5)20-10-11-25-22(27-20)17-6-8-18(13-24)26-14-17/h6-12,14-15H,13,24H2,1-5H3
InChIKeyJGGZFNHIHOSTFP-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.75
Rot. Bonds5

About [5-[4-(3-tert-butyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]-2-pyridinyl]methanamine

[5-[4-(3-tert-butyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]-2-pyridinyl]methanamine (PubChem CID 67606895) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is [5-[4-(3-tert-butyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-[4-(3-tert-butyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]-2-pyridinyl]methanamine
PubChem CID67606895
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name[5-[4-(3-tert-butyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]-2-pyridinyl]methanamine
SMILESCC(C)Oc1ccc(-c2ccnc(-c3ccc(CN)nc3)n2)cc1C(C)(C)C
InChIInChI=1S/C23H28N4O/c1-15(2)28-21-9-7-16(12-19(21)23(3,4)5)20-10-11-25-22(27-20)17-6-8-18(13-24)26-14-17/h6-12,14-15H,13,24H2,1-5H3
InChIKeyJGGZFNHIHOSTFP-UHFFFAOYSA-N
XLogP4.75
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(3-tert-butyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]-2-pyridinyl]methanamine?
The IUPAC name of [5-[4-(3-tert-butyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]-2-pyridinyl]methanamine (CID 67606895) is [5-[4-(3-tert-butyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for [5-[4-(3-tert-butyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]-2-pyridinyl]methanamine?
The canonical SMILES for [5-[4-(3-tert-butyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]-2-pyridinyl]methanamine is CC(C)Oc1ccc(-c2ccnc(-c3ccc(CN)nc3)n2)cc1C(C)(C)C.
What is the InChIKey of [5-[4-(3-tert-butyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]-2-pyridinyl]methanamine?
The InChIKey is JGGZFNHIHOSTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-15(2)28-21-9-7-16(12-19(21)23(3,4)5)20-10-11-25-22(27-20)17-6-8-18(13-24)26-14-17/h6-12,14-15H,13,24H2,1-5H3.
What are the key properties of [5-[4-(3-tert-butyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]-2-pyridinyl]methanamine?
[5-[4-(3-tert-butyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]-2-pyridinyl]methanamine has a molecular weight of 376.50 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(3-tert-butyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 67606895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).